trichlorofluoromethane: refrigerant, aerosol propellant; RN given refers to parent cpd; structure [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
trichlorofluoromethane : A one-carbon compound that is methane in which the hydrogens have been replaced by three chlorine and one fluorine atom. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]
| ID Source | ID |
|---|---|
| PubMed CID | 6389 |
| CHEMBL ID | 348290 |
| CHEBI ID | 48236 |
| SCHEMBL ID | 1320 |
| MeSH ID | M0047660 |
| Synonym |
|---|
| methane, trichlorofluoro- |
| trichloromonofluoromethane |
| trichloro(fluoro)methane |
| freon 11 (tn) |
| 75-69-4 |
| trichloromonofluoromethane (nf) |
| D06220 |
| inchi=1/ccl3f/c2-1(3,4) |
| cfcl3 |
| NCGC00091043-01 |
| trichlorofluoromethane |
| hsdb 138 |
| halon 11 |
| fkw 11 |
| daiflon s 1 |
| refrigerant 11 |
| fluorocarbon 11 |
| caswell no. 878 |
| f 11b |
| fluon 11 |
| rcra waste no. u121 |
| khladon 11 |
| brn 1732469 |
| freon he |
| arcton 11 |
| fc 11 |
| daiflon 11 |
| isotron 11 |
| f 11 (halocarbon) |
| isceon 131 |
| trichloromethyl fluoride |
| frigen s 11 |
| methane, fluorotrichloro- |
| dymel 11 |
| trichlorofluorocarbon |
| einecs 200-892-3 |
| eskimon 11 |
| fluorotrichloromethane |
| r 11 |
| cfc 11 |
| kaltron 11 |
| freon 11b |
| propellant 11 |
| f 11 |
| fluorotrojchlorometan [polish] |
| freon 11 |
| monofluorotrichloromethane |
| f-11 |
| fluorocarbon no. 11 |
| chladone 11 |
| frigen 11 |
| ucon flurocarbon 11 |
| freon mf |
| cfc-11 |
| algofrene type 1 |
| r 11 (refrigerant) |
| ledon 11 |
| arcton 9 |
| freon-11 |
| fluorochloroform |
| ccris 604 |
| electro-cf 11 |
| nci-c04637 |
| refrigerant r 11 |
| freon 11a |
| frigen 11a |
| ucon refrigerant 11 |
| epa pesticide chemical code 000013 |
| fc 11 (halocarbon) |
| halocarbon 11 |
| genetron 11sba |
| genetron 11 |
| trichlorofluoromethane, analytical standard |
| trichlorofluoromethane, >=99.5% |
| CHEMBL348290 |
| chebi:48236 , |
| NCGC00091043-02 |
| AKOS007930402 |
| dtxcid701384 |
| dtxsid5021384 , |
| cas-75-69-4 |
| tox21_201190 |
| NCGC00258742-01 |
| unii-990tyb331r |
| 990tyb331r , |
| fluorotrojchlorometan |
| trichloromonofluoromethane [nf] |
| 4-01-00-00054 (beilstein handbook reference) |
| FT-0631315 |
| desflurane impurity d [ep impurity] |
| trichloromonofluoromethane [hsdb] |
| trichlorofluoromethane [mi] |
| trichloromonofluoromethane [ii] |
| chlorofluorocarbon 11 |
| desflurane impurity f [ep impurity] |
| trichlorofluoromethane [who-dd] |
| trichloromonofluoromethane [vandf] |
| trichlorofluoromethane [mart.] |
| trichlorfluomethane |
| ccl3f |
| SCHEMBL1320 |
| distillex ds6 |
| triclorofluormethane |
| chlorofluoromethane (ccl3f) |
| r 11, halocarbon |
| fc 11, halocarbon |
| refrigerant r11 |
| mfcd00000784 |
| fluorotrichloromethane 99% |
| fluorotrichloromethane 100 microg/ml in methanol |
| fluorotrichloromethane 5000 microg/ml in methanol |
| Q423000 |
| trichlorofluoromethane 100 microg/ml in methanol |
| AMY33469 |
| Excerpt | Reference | Relevance |
|---|---|---|
| " These aerosolized medications are not without the potential for adverse effects." | ( Unexpected adverse effects of Freon 11 and Freon 12 as medication propellants. Oenbrink, RJ, 1993) | 0.29 |
| Excerpt | Relevance | Reference |
|---|---|---|
| "Human exposure guidelines for halogenated hydrocarbons (halons) and halon replacement chemicals have been established using dose-response data obtained from canine cardiac sensitization studies." | ( PBPK modeling of canine inhalation exposures to halogenated hydrocarbons. Vinegar, A, 2001) | 0.31 |
| Role | Description |
|---|---|
| refrigerant | A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure. |
| environmental contaminant | Any minor or unwanted substance introduced into the environment that can have undesired effects. |
| NMR solvent | A solvent used in nuclear magnetic resonance (NMR) spectroscopy. |
| NMR chemical shift reference compound | Any compound that produces a peak used to reference an NMR spectrum during data pre-processing. |
| [role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Class | Description |
|---|---|
| halomethane | A haloalkane that is methane in which one (or more) of the hydrogens have been replaced by a halogen atom/halogen atoms. |
| chlorofluorocarbon | An organochlorine compound derived from methane, ethane or propane that contains atoms of carbon, chlorine, and fluorine only. They are nontoxic, nonflammable chemicals used in aerosol sprays and as refrigerants. Being ozone depletion agents, their manufacture and use is being phased out under the Montreal Protocol. |
| [compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] | |
| Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| pregnane X receptor | Rattus norvegicus (Norway rat) | Potency | 70.7946 | 0.0251 | 27.9203 | 501.1870 | AID651751 |
| AR protein | Homo sapiens (human) | Potency | 14.8145 | 0.0002 | 21.2231 | 8,912.5098 | AID743036; AID743040; AID743053 |
| nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 54.3165 | 0.0010 | 22.6508 | 76.6163 | AID1224838 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 9.6590 | 0.0002 | 29.3054 | 16,493.5996 | AID743079 |
| peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 61.4789 | 0.0010 | 19.4141 | 70.9645 | AID743094 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID19825 | Partition coefficient (logP) | 1995 | Journal of medicinal chemistry, Feb-17, Volume: 38, Issue:4 | Molecular similarity matrices and quantitative structure-activity relationships: a case study with methodological implications. |
| AID603957 | Octanol-water partition coefficient, log P of the compound | 2008 | European journal of medicinal chemistry, Apr, Volume: 43, Issue:4 | QSPR modeling of octanol/water partition coefficient for vitamins by optimal descriptors calculated with SMILES. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 11 (26.19) | 18.7374 |
| 1990's | 11 (26.19) | 18.2507 |
| 2000's | 11 (26.19) | 29.6817 |
| 2010's | 9 (21.43) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be strong demand-to-supply ratio for research on this compound.
| This Compound (48.24) All Compounds (24.57) |
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 2 (4.76%) | 6.00% |
| Case Studies | 2 (4.76%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 38 (90.48%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Substance | Relationship Strength | Studies | Trials | Classes | Roles |
|---|---|---|---|---|---|
| ethylene dichloride ethylene dichloride: RN given refers to 1,2-isomer; structure given in first source. 1,2-dichloroethane : A member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. | 2.41 | 2 | 0 | chloroethanes | hepatotoxic agent; mutagen; non-polar solvent |
| 1,2,4-trichlorobenzene 1,2,4-trichlorobenzene : A trichlorobenzene with chloro substituents at positions 1, 2 and 4. | 2.04 | 1 | 0 | trichlorobenzene | |
| benzene [no description available] | 2.04 | 1 | 0 | aromatic annulene; benzenes; volatile organic compound | carcinogenic agent; environmental contaminant; non-polar solvent |
| carbon monoxide Carbon Monoxide: Carbon monoxide (CO). A poisonous colorless, odorless, tasteless gas. It combines with hemoglobin to form carboxyhemoglobin, which has no oxygen carrying capacity. The resultant oxygen deprivation causes headache, dizziness, decreased pulse and respiratory rates, unconsciousness, and death. (From Merck Index, 11th ed). carbon monoxide : A one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. | 1.98 | 1 | 0 | carbon oxide; gas molecular entity; one-carbon compound | biomarker; EC 1.9.3.1 (cytochrome c oxidase) inhibitor; human metabolite; ligand; metabolite; mitochondrial respiratory-chain inhibitor; mouse metabolite; neurotoxin; neurotransmitter; P450 inhibitor; probe; signalling molecule; vasodilator agent |
| methane Methane: The simplest saturated hydrocarbon. It is a colorless, flammable gas, slightly soluble in water. It is one of the chief constituents of natural gas and is formed in the decomposition of organic matter. (Grant & Hackh's Chemical Dictionary, 5th ed). methane : A one-carbon compound in which the carbon is attached by single bonds to four hydrogen atoms. It is a colourless, odourless, non-toxic but flammable gas (b.p. -161degreeC). | 2.69 | 3 | 0 | alkane; gas molecular entity; mononuclear parent hydride; one-carbon compound | bacterial metabolite; fossil fuel; greenhouse gas |
| octane Octanes: Eight-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. octane : A straight chain alkane composed of 8 carbon atoms. | 2.04 | 1 | 0 | alkane | xenobiotic |
| naphthalene [no description available] | 2.04 | 1 | 0 | naphthalenes; ortho-fused bicyclic arene | apoptosis inhibitor; carcinogenic agent; environmental contaminant; mouse metabolite; plant metabolite; volatile oil component |
| niacinamide nicotinamide : A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. | 2.04 | 1 | 0 | pyridine alkaloid; pyridinecarboxamide; vitamin B3 | anti-inflammatory agent; antioxidant; cofactor; EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibitor; EC 3.5.1.98 (histone deacetylase) inhibitor; Escherichia coli metabolite; geroprotector; human urinary metabolite; metabolite; mouse metabolite; neuroprotective agent; Saccharomyces cerevisiae metabolite; Sir2 inhibitor |
| nitrous oxide Nitrous Oxide: Nitrogen oxide (N2O). A colorless, odorless gas that is used as an anesthetic and analgesic. High concentrations cause a narcotic effect and may replace oxygen, causing death by asphyxia. It is also used as a food aerosol in the preparation of whipping cream.. dinitrogen oxide : A nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its solubility under pressure in vegetable fats combined with its non-toxicity in low concentrations, is as an aerosol spray propellant and aerating agent for canisters of 'whipped' cream. | 7.4 | 2 | 0 | gas molecular entity; nitrogen oxide | analgesic; bacterial metabolite; food packaging gas; food propellant; general anaesthetic; greenhouse gas; inhalation anaesthetic; NMDA receptor antagonist; raising agent; refrigerant; vasodilator agent |
| orotic acid Orotic Acid: An intermediate product in PYRIMIDINE synthesis which plays a role in chemical conversions between DIHYDROFOLATE and TETRAHYDROFOLATE.. orotic acid : A pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. | 2.04 | 1 | 0 | pyrimidinemonocarboxylic acid | Escherichia coli metabolite; metabolite; mouse metabolite |
| 4-aminobenzoic acid 4-Aminobenzoic Acid: An aminobenzoic acid isomer that combines with pteridine and GLUTAMIC ACID to form FOLIC ACID. The fact that 4-aminobenzoic acid absorbs light throughout the UVB range has also resulted in its use as an ingredient in SUNSCREENS.. 4-ammoniobenzoate : A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.. 4-aminobenzoic acid : An aminobenzoic acid in which the amino group is para to the carboxy group. | 2.04 | 1 | 0 | aminobenzoic acid; aromatic amino-acid zwitterion | allergen; Escherichia coli metabolite; plant metabolite |
| phenanthrene phenanthrene : A polycyclic aromatic hydrocarbon composed of three fused benzene rings which takes its name from the two terms 'phenyl' and 'anthracene.' | 2.04 | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon; phenanthrenes | environmental contaminant; mouse metabolite |
| dimethyl sulfide dimethyl sulfide: structure. dimethyl sulfide : A methyl sulfide in which the sulfur atom is substituted by two methyl groups. It is produced naturally by some marine algae.. methyl sulfide : Any aliphatic sulfide in which at least one of the organyl groups attached to the sulfur is a methyl group. | 2.04 | 1 | 0 | aliphatic sulfide | algal metabolite; bacterial xenobiotic metabolite; EC 3.5.1.4 (amidase) inhibitor; Escherichia coli metabolite; marine metabolite |
| sulfur dioxide Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant. | 2.05 | 1 | 0 | sulfur oxide | Escherichia coli metabolite; food bleaching agent; refrigerant |
| thiamine thiamine(1+) : A primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. | 2.04 | 1 | 0 | primary alcohol; vitamin B1 | Escherichia coli metabolite; human metabolite; mouse metabolite; Saccharomyces cerevisiae metabolite |
| toluene methylbenzene : Any alkylbenzene that is benzene substituted with one or more methyl groups. | 2.04 | 1 | 0 | methylbenzene; toluenes; volatile organic compound | cholinergic antagonist; fuel additive; neurotoxin; non-polar solvent |
| albuterol Albuterol: A short-acting beta-2 adrenergic agonist that is primarily used as a bronchodilator agent to treat ASTHMA. Albuterol is prepared as a racemic mixture of R(-) and S(+) stereoisomers. The stereospecific preparation of R(-) isomer of albuterol is referred to as levalbuterol.. albuterol : A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). | 2.89 | 4 | 0 | phenols; phenylethanolamines; secondary amino compound | beta-adrenergic agonist; bronchodilator agent; environmental contaminant; xenobiotic |
| benzo(a)pyrene Benzo(a)pyrene: A potent mutagen and carcinogen. It is a public health concern because of its possible effects on industrial workers, as an environmental pollutant, an as a component of tobacco smoke.. benzo[a]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mouse metabolite |
| enflurane Enflurane: An extremely stable inhalation anesthetic that allows rapid adjustments of anesthesia depth with little change in pulse or respiratory rate.. enflurane : An ether in which the oxygen atom is connected to 2-chloro-1,1,2-trifluoroethyl and difluoromethyl groups. | 2.38 | 2 | 0 | ether; organochlorine compound; organofluorine compound | anaesthetic |
| halothane [no description available] | 2 | 1 | 0 | haloalkane; organobromine compound; organochlorine compound; organofluorine compound | inhalation anaesthetic |
| isoflurane Isoflurane: A stable, non-explosive inhalation anesthetic, relatively free from significant side effects. | 2.9 | 4 | 0 | organofluorine compound | inhalation anaesthetic |
| vitamin k 3 Vitamin K 3: A synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. | 2.04 | 1 | 0 | 1,4-naphthoquinones; vitamin K | angiogenesis inhibitor; antineoplastic agent; EC 3.4.22.69 (SARS coronavirus main proteinase) inhibitor; human urinary metabolite; nutraceutical |
| 4-dichlorobenzene dichlorobenzene : Any member of the class of chlorobenzenes carrying two chloro groups at unspecified positions.. 1,4-dichlorobenzene : A dichlorobenzene carrying chloro groups at positions 1 and 4. | 2.04 | 1 | 0 | dichlorobenzene | insecticide |
| procaine Procaine: A local anesthetic of the ester type that has a slow onset and a short duration of action. It is mainly used for infiltration anesthesia, peripheral nerve block, and spinal block. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1016).. procaine : A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol. | 2.04 | 1 | 0 | benzoate ester; substituted aniline; tertiary amino compound | central nervous system depressant; drug allergen; local anaesthetic; peripheral nervous system drug |
| krypton Krypton: A noble gas that is found in the atmosphere. It has the atomic symbol Kr, atomic number 36, atomic weight 83.80, and has been used in electric bulbs. | 1.96 | 1 | 0 | monoatomic krypton; noble gas atom; p-block element atom | |
| bromoform bromoform: structure | 1.98 | 1 | 0 | bromohydrocarbon; bromomethanes | |
| 1,2,5,6-dibenzanthracene 1,2,5,6-dibenzanthracene: RN given refers to parent cpd | 2.04 | 1 | 0 | ortho-fused polycyclic arene | mutagen |
| carbon tetrachloride Carbon Tetrachloride: A solvent for oils, fats, lacquers, varnishes, rubber waxes, and resins, and a starting material in the manufacturing of organic compounds. Poisoning by inhalation, ingestion or skin absorption is possible and may be fatal. (Merck Index, 11th ed). tetrachloromethane : A chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. | 2.7 | 3 | 0 | chlorocarbon; chloromethanes | hepatotoxic agent; refrigerant |
| benz(a)anthracene benz(a)anthracene: 4 fused rings of which one is angular in contrast to the linear NAPHTHACENES. tetraphene : An angular ortho-fused polycyclic arene consisting of four fused benzene rings. | 2.04 | 1 | 0 | ortho-fused polycyclic arene; tetraphenes | |
| adenosine monophosphate Adenosine Monophosphate: Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position. | 2.04 | 1 | 0 | adenosine 5'-phosphate; purine ribonucleoside 5'-monophosphate | adenosine A1 receptor agonist; cofactor; EC 3.1.3.1 (alkaline phosphatase) inhibitor; EC 3.1.3.11 (fructose-bisphosphatase) inhibitor; fundamental metabolite; micronutrient; nutraceutical |
| lactose Lactose: A disaccharide of GLUCOSE and GALACTOSE in human and cow milk. It is used in pharmacy for tablets, in medicine as a nutrient, and in industry.. lactose : A glycosylglucose disaccharide, found most notably in milk, that consists of D-galactose and D-glucose fragments bonded through a beta-1->4 glycosidic linkage. The glucose fragment can be in either the alpha- or beta-pyranose form, whereas the galactose fragment can only have the beta-pyranose form.. beta-lactose : The beta-anomer of lactose. | 1.98 | 1 | 0 | lactose | |
| chloroform Chloroform: A commonly used laboratory solvent. It was previously used as an anesthetic, but was banned from use in the U.S. due to its suspected carcinogenicity.. chloroform : A one-carbon compound that is methane in which three of the hydrogens are replaced by chlorines. | 2.91 | 4 | 0 | chloromethanes; one-carbon compound | carcinogenic agent; central nervous system drug; inhalation anaesthetic; non-polar solvent; refrigerant |
| hexachloroethane [no description available] | 1.98 | 1 | 0 | chlorocarbon; chloroethanes | carcinogenic agent; refrigerant |
| 1,1,1-trichloroethane Trichloroethanes: Chlorinated ethanes which are used extensively as industrial solvents. They have been utilized in numerous home-use products including spot remover preparations and inhalant decongestant sprays. These compounds cause central nervous system and cardiovascular depression and are hepatotoxic. Include 1,1,1- and 1,1,2-isomers.. 1,1,1-trichloroethane : A member of the class of chloroethanes carrying three chloro substituents at position 1. | 2.68 | 3 | 0 | chloroethanes | polar solvent |
| bromoethane bromoethane : A bromoalkane that is ethane carrying a bromo substituent. It is an alkylating agent used as a chemical intermediate in various organic syntheses. | 1.98 | 1 | 0 | bromoalkane; bromohydrocarbon; volatile organic compound | alkylating agent; carcinogenic agent; local anaesthetic; refrigerant; solvent |
| bromochloromethane bromochloromethane: inhibitor of ruminal methane production. bromochloromethane : A halomethane that is chloromethane in which one of the hydrogens has been replaced by a bromine atom. | 1.98 | 1 | 0 | halomethane | |
| ethyl chloride Ethyl Chloride: A gas that condenses under slight pressure. Because of its low boiling point ethyl chloride sprayed on skin produces an intense cold by evaporation. Cold blocks nerve conduction. Ethyl chloride has been used in surgery but is primarily used to relieve local pain in sports medicine.. chloroethane : The simplest and least toxic member of the class of chloroethanes, that is ethane in which a single hydrogen is substituted by a chlorine. A colourless gas at room temperature and pressure (boiling point 12degreeC), it is used as a mild topical anaesthetic to numb the skin prior to ear piercing, skin biopsies, etc., and is also used in the treatment of sports injuries. It was formerly used in the production of tetraethyllead. | 2.41 | 2 | 0 | chloroethanes | antipruritic drug; inhalation anaesthetic; local anaesthetic |
| methylene chloride Methylene Chloride: A chlorinated hydrocarbon that has been used as an inhalation anesthetic and acts as a narcotic in high concentrations. Its primary use is as a solvent in manufacturing and food technology.. dichloromethane : A member of the class of chloromethanes that is methane in which two of the hydrogens have been replaced by chlorine. A dense, non-flammible colourless liquid at room temperature (b.p. 40degreeC, d = 1.33) which is immiscible with water, it is widely used as a solvent, a paint stripper, and for the removal of caffeine from coffee and tea. | 1.98 | 1 | 0 | chloromethanes; volatile organic compound | carcinogenic agent; polar aprotic solvent; refrigerant |
| bromodichloromethane bromodichloromethane: RN given refers to parent cpd. bromodichloromethane : A halomethane that is dichloromethane in which oneof the hydrogens has been replaced by a bromine atom. It occurs as a contaminant in drinking water. | 1.98 | 1 | 0 | halomethane | environmental contaminant; reagent |
| 1,1-dichloroethane [no description available] | 1.98 | 1 | 0 | organochlorine compound | |
| vinylidene chloride vinylidene chloride: potent hepatotoxin. 1,1-dichloroethene : A member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. | 1.98 | 1 | 0 | chloroethenes | carcinogenic agent; mouse metabolite; mutagen |
| fluorocarbon 22 [no description available] | 1.97 | 1 | 0 | hydrochlorofluorocarbon | |
| bromotrichloromethane Bromotrichloromethane: A potent liver poison. In rats, bromotrichloromethane produces about three times the degree of liver microsomal lipid peroxidation as does carbon tetrachloride. | 1.98 | 1 | 0 | ||
| dichlorodifluoromethane dichlorodifluoromethane: refrigerant,aerosol propellant | 4.96 | 12 | 0 | ||
| pentachloroethane [no description available] | 2.41 | 2 | 0 | chloroethanes | non-polar solvent |
| 1,1,2-trichloro-1,2,2-trifluoroethane [no description available] | 3.59 | 2 | 0 | chlorofluorocarbon; haloalkane | NMR solvent; refrigerant |
| freon 114 Freon 114: InChIKey: DDMOUSALMHHKOS-UHFFFAOYSA-N | 3.79 | 3 | 0 | ||
| isopentane [no description available] | 2.04 | 1 | 0 | alkane | refrigerant |
| propylene dichloride propylene dichloride: Russian drug; structure. 1,2-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of two adjacent carbons has been replaced by chlorines. | 1.98 | 1 | 0 | chloroalkane; volatile organic compound | |
| 2,3-dichloro-1-propene 2,3-dichloro-1-propene: soil fumigant | 1.98 | 1 | 0 | ||
| 1,1,2-trichloroethane 1,1,2-trichloroethane: RN given refers to cpd with locants as specified. 1,1,2-trichloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1 and 2. | 1.98 | 1 | 0 | chloroethanes | |
| trichloroethylene Trichloroethylene: A highly volatile inhalation anesthetic used mainly in short surgical procedures where light anesthesia with good analgesia is required. It is also used as an industrial solvent. Prolonged exposure to high concentrations of the vapor can lead to cardiotoxicity and neurological impairment.. triol : A chemical compound containing three hydroxy groups. | 2.69 | 3 | 0 | chloroethenes | inhalation anaesthetic; mouse metabolite |
| 1,1,2,2-tetrachloroethane 1,1,2,2-tetrachloroethane: see also record for tetrachloroethane. 1,1,2,2-tetrachloroethane : A member of the class of chloroethanes that is ethane substituted by chloro groups at positions 1, 1, 2 and 2. | 2.41 | 2 | 0 | chloroethanes | |
| pantothenic acid Pantothenic Acid: A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE.. pantothenic acid : A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine.. vitamin B5 : Any member of a group of vitamers that belong to the chemical structural class called pantothenic acids that exhibit biological activity against vitamin B5 deficiency. Deficiency of vitamin B5 is rare due to its widespread distribution in whole grain cereals, legumes and meat. Symptoms associated with vitamin B5 deficiency are difficult to asses since they are subtle and resemble those of other B vitamin deficiencies. The vitamers include (R)-pantothenic acid and its ionized and salt forms.. (R)-pantothenate : A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.. (R)-pantothenic acid : A pantothenic acid having R-configuration. | 2.04 | 1 | 0 | pantothenic acid; vitamin B5 | antidote to curare poisoning; geroprotector; human blood serum metabolite |
| acenaphthene [no description available] | 2.04 | 1 | 0 | acenaphthenes | |
| 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione [no description available] | 2.04 | 1 | 0 | flavin | |
| fluorene [no description available] | 2.04 | 1 | 0 | ortho-fused polycyclic arene; ortho-fused tricyclic hydrocarbon | |
| 1,2,3-trichlorobenzene trichlorobenzene: commercial grade of trichlorobenzene containing 70% 1,2,4-trichlorobenzene & 30% 1,2,3-trichlorobenzene; see also record for 1,2,4-trichlorobenzene. trichlorobenzene : Any member of the class of chlorobenzenes carrying three chloro substituents at unspecified positions.. 1,2,3-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 2 and 3. | 2.04 | 1 | 0 | trichlorobenzene | |
| hexamethylbenzene hexamethylbenzene : A methylbenzene that is benzene in which all six hydrogens have been replaced by methyl groups. | 2.04 | 1 | 0 | methylbenzene | |
| 1-methylnaphthalene 1-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 1. | 2.04 | 1 | 0 | methylnaphthalene | carcinogenic agent; plant metabolite |
| 1-chloronaphthalene 1-chloronaphthalene: word preservative; in xylamon the active ingredient is 60% 1-chloronaphthalene; structure in Merck Index, 9th ed, #2126 | 2.04 | 1 | 0 | ||
| 2-methylnaphthalene 2-methylnaphthalene: RN given refers to parent cpd. 2-methylnaphthalene : A methylnaphthalene carrying a methyl substituent at position 2. | 2.04 | 1 | 0 | methylnaphthalene | |
| 2-chloronaphthalene 2-chloronaphthalene: structure in first source | 2.04 | 1 | 0 | ||
| naphthacene tetracene : An acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. | 2.04 | 1 | 0 | acene; tetracenes | |
| diphenyl diphenyl: RN given refers to unlabeled cpd; structure | 2.04 | 1 | 0 | aromatic fungicide; benzenes; biphenyls | antifungal agrochemical; antimicrobial food preservative |
| 2-xylene 2-xylene: RN given refers to parent cpd. o-xylene : A xylene substituted by methyl groups at positions 1 and 2. | 2.04 | 1 | 0 | xylene | |
| 2-chlorotoluene 2-chlorotoluene: RN given refers to parent cpd | 2.04 | 1 | 0 | ||
| 2-dichlorobenzene 2-dichlorobenzene: structure. 1,2-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 2. | 2.04 | 1 | 0 | dichlorobenzene | hepatotoxic agent; metabolite |
| pseudocumene 1,2,4-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 4. | 2.04 | 1 | 0 | trimethylbenzene | neurotoxin |
| durene durene: structure. durene : A tetramethylbenzene carrying methyl groups at positions 1, 2, 4 and 5. | 2.04 | 1 | 0 | tetramethylbenzene | |
| 1,2,4,5-tetrachlorobenzene 1,2,4,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 4 and 5. | 2.04 | 1 | 0 | tetrachlorobenzene | |
| 1,2,3-trichloropropane [no description available] | 1.98 | 1 | 0 | organochlorine compound | |
| tert-butylbenzene [no description available] | 2.04 | 1 | 0 | ||
| cumene cumene : An alkylbenzene that is benzene carrying an isopropyl group. | 2.04 | 1 | 0 | alkylbenzene | |
| 4-cymene 4-cymene: structure. p-cymene : A monoterpene that is toluene substituted by an isopropyl group at position 4. | 2.04 | 1 | 0 | monoterpene; toluenes | human urinary metabolite; plant metabolite; volatile oil component |
| ethylbenzene [no description available] | 2.04 | 1 | 0 | alkylbenzene | |
| 1,2-dihydrostilbene 1,2-dihydrostilbene: intermdiate in biosynthesis of dihydrophenanthrenes from phenylalanine. 1,2-dihydrostilbene : A diphenylethane that is the 1,2-dihydro derivative of stilbene. | 2.04 | 1 | 0 | diphenylethane | |
| n-propylbenzene n-propylbenzene: RN given refers to parent cpd. propylbenzene : An alkylbenzene that is benzene having one of its aromatic hydrogens substituted by a propyl group. | 2.04 | 1 | 0 | alkylbenzene | |
| n-butylbenzene butylbenzene : An alkylbenzene that is benzene substituted by a butyl group at position 1. | 2.04 | 1 | 0 | alkylbenzene | |
| 1,4-dibromobenzene [no description available] | 2.04 | 1 | 0 | dibromobenzene | |
| 4-xylene p-xylene : A xylene with methyl groups at positions 1 and 4. | 2.04 | 1 | 0 | xylene | |
| 4-chlorotoluene 4-chlorotoluene: RN given refers to unlabeled cpd | 2.04 | 1 | 0 | monochlorobenzenes | |
| ethylene dibromide Ethylene Dibromide: An effective soil fumigant, insecticide, and nematocide. In humans, it causes severe burning of skin and irritation of the eyes and respiratory tract. Prolonged inhalation may cause liver necrosis. It is also used in gasoline. Members of this group have caused liver and lung cancers in rodents. According to the Fourth Annual Report on Carcinogens (NTP 85-002, 1985), 1,2-dibromoethane may reasonably be anticipated to be a carcinogen.. 1,2-dibromoethane : A bromoalkane that is ethane carrying bromo substituents at positions 1 and 2. It is produced by marine algae. | 2.04 | 1 | 0 | bromoalkane; bromohydrocarbon | algal metabolite; carcinogenic agent; fumigant; marine metabolite; mouse metabolite; mutagen |
| butane butane : A straight chain alkane composed of 4 carbon atoms. | 2.04 | 1 | 0 | alkane; gas molecular entity | food propellant; refrigerant |
| 1-butene but-1-ene : A butene with unsaturation at position 1. | 2.04 | 1 | 0 | butene | |
| 1-bromo-2-chloroethane 1-bromo-2-chloroethane : A haloalkane that is bromoethane substituted by chlorine at position 2. | 1.98 | 1 | 0 | haloalkane; organobromine compound; organochlorine compound | mutagen |
| 2-methylpentane Hexanes: Six-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives. Various polyneuropathies are caused by hexane poisoning. | 2.04 | 1 | 0 | alkane | |
| 3-xylene m-xylene : A xylene carrying methyl groups at positions 1 and 3. | 2.04 | 1 | 0 | xylene | |
| mesitylene mesitylene: structure. 1,3,5-trimethylbenzene : A trimethylbenzene carrying methyl substituents at positions 1, 3 and 5. | 2.04 | 1 | 0 | trimethylbenzene | |
| 1,3,5-trichlorobenzene 1,3,5-trichlorobenzene: structure in first source. 1,3,5-trichlorobenzene : A trichlorobenzene carrying chloro substituents at positions 1, 3 and 5. | 2.04 | 1 | 0 | trichlorobenzene | |
| bromobenzene [no description available] | 2.04 | 1 | 0 | bromoarene; bromobenzenes; volatile organic compound | hepatotoxic agent; mouse metabolite; non-polar solvent |
| chlorobenzene [no description available] | 2.04 | 1 | 0 | monochlorobenzenes | solvent |
| butyl bromide [no description available] | 1.98 | 1 | 0 | ||
| pentane Pentanes: Five-carbon saturated hydrocarbon group of the methane series. Include isomers and derivatives.. pentane : A straight chain alkane consisting of 5 carbon atoms. | 2.04 | 1 | 0 | alkane; volatile organic compound | non-polar solvent; refrigerant |
| 1-pentene 1-pentene: structure in first source | 2.04 | 1 | 0 | ||
| butyl chloride butyl chloride: structure | 2.41 | 2 | 0 | ||
| n-hexane hexane : An unbranched alkane containing six carbon atoms. | 2.04 | 1 | 0 | alkane; volatile organic compound | neurotoxin; non-polar solvent |
| cyclohexane Cyclohexane: C6H12. cyclohexane : An alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. | 2.04 | 1 | 0 | cycloalkane; volatile organic compound | non-polar solvent |
| cyclohexene cyclohexene : A cycloalkene that is cylohexane with a single double bond. | 2.04 | 1 | 0 | cycloalkene | |
| nonane iotrochotin: toxin from the Caribbean sponge Iotrochota birotulata, which selectively permeabilizes synaptosomes. nonane : A straight chain alkane composed of 9 carbon atoms. | 2.04 | 1 | 0 | alkane | plant metabolite; volatile oil component |
| hexachlorobenzene Hexachlorobenzene: An agricultural fungicide and seed treatment agent.. hexachlorobenzene : A member of the class of chlorobenzenes that is benzene in which all of the hydrogens are replaced by chlorines. An agricultural fungicide introduced in the mid-1940s and formerly used as a seed treatment, its use has been banned since 1984 under the Stockholm Convention on Persistent Organic Pollutants. | 2.04 | 1 | 0 | aromatic fungicide; chlorobenzenes | antifungal agrochemical; carcinogenic agent; persistent organic pollutant |
| anthracene acene : A polycyclic aromatic hydrocarbon consisting of fused benzene rings in a rectilinear arrangement.. acenes : Polycyclic aromatic hydrocarbons consisting of fused benzene rings in a rectilinear arrangement and their substitution derivatives. | 2.04 | 1 | 0 | acene; anthracenes; ortho-fused tricyclic hydrocarbon | |
| 1,3-dichloropropane 1,3-dichloropropane : A chloroalkane that is propane in which a hydrogen from each of the terminal methyl groups has been replaced by a chlorine. | 1.98 | 1 | 0 | chloroalkane; chlorohydrocarbon | environmental contaminant; nematicide |
| n-heptane Heptanes: Seven-carbon alkanes with the formula C7H16.. heptane : A straight-chain alkane with seven carbon atoms. It has been found in Jeffrey pine (Pinus jeffreyi). | 2.04 | 1 | 0 | alkane; volatile organic compound | non-polar solvent; plant metabolite |
| 1,12-benzoperylene 1,12-benzoperylene: structure; see also record for benzoperylene | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| benzo(e)pyrene benzo(e)pyrene: RN given refers to parent cpd. benzo[e]pyrene : An ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It is listed as a Group 3 carcinogen by the IARC. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | carcinogenic agent; mutagen |
| perylene Perylene: A 20-carbon dibenz(de,kl)anthracene that can be viewed as a naphthalene fused to a phenalene or as dinaphthalene. It is used as fluorescent lipid probe in the cytochemistry of membranes and is a polycyclic hydrocarbon pollutant in soil and water. Derivatives may be carcinogenic.. perylene : An ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene; perylenes | |
| benzo(j)fluoranthene benzo(j)fluoranthene: dihydrodiol metabolites identified as mutagens; structure given in first source | 2.04 | 1 | 0 | naphthalenes | |
| benzo(b)fluoranthene benzo[b]fluoranthene : An ortho- and peri-fused polycyclic arene that consists of a benzene ring fused with a acephenanthrylene ring. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | mutagen |
| fluoranthene fluoranthene: structure. fluoranthene : An ortho- and peri-fused polycyclic arene consisting of a naphthalene and benzene unit connected by a five-membered ring. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | |
| benzo(k)fluoranthene [no description available] | 2.04 | 1 | 0 | naphthalenes | |
| triphenylene triphenylene: structure. triphenylene : An ortho-fused polycyclic arene consisting of four fused benzene rings. | 2.04 | 1 | 0 | ortho-fused polycyclic arene | |
| chrysene chrysene: structure in Merck Index, 9th ed, #2252. chrysene : An ortho-fused polycyclic arene found commonly in the coal tar. | 2.04 | 1 | 0 | ortho-fused polycyclic arene | plant metabolite |
| dibenzo(aj)anthracene dibenzo(aj)anthracene: structure in first source | 2.04 | 1 | 0 | phenanthrenes | |
| benzo(a)fluorene benzo(a)fluorene: structure in first source | 2.04 | 1 | 0 | carbotetracyclic compound | |
| benzo(b)fluorene benzo(b)fluorene: structure in first source | 2.04 | 1 | 0 | carbotetracyclic compound | |
| adamantane Adamantane: A tricyclo bridged hydrocarbon. | 2.04 | 1 | 0 | adamantanes; polycyclic alkane | |
| cyclopentane Cyclopentanes: A group of alicyclic hydrocarbons with the general formula R-C5H9.. cyclopentanes : Cyclopentane and its derivatives formed by substitution. | 2.04 | 1 | 0 | cycloalkane; cyclopentanes; volatile organic compound | non-polar solvent |
| cyclooctane [no description available] | 2.04 | 1 | 0 | ||
| 2,2-dichloro-1,1,1-trifluoroethane 2,2-dichloro-1,1,1-trifluoroethane: structure given in first source. hydrochlorofluorocarbon : An organochlorine compound derived from methane, ethane or propane that contains atoms of hydrogen, chlorine, fluorine, and carbon only. | 3.27 | 1 | 0 | ||
| diethyl sulfide ethyl sulfide : An aliphatic sulfide in which the sulfur atom is bonded to at least one ethyl group.. diethyl sulfide : An ethyl sulfide compound having two ethyl groups attached to a sulfur atom. | 2.04 | 1 | 0 | ethyl sulfide | |
| pentafluoroethane [no description available] | 3.27 | 1 | 0 | ||
| 1,1,1-trichloro-2,2,2-trifluoroethane [no description available] | 3.27 | 1 | 0 | ||
| 1,1,1-trifluoroethane [no description available] | 3.27 | 1 | 0 | ||
| fluorobenzenes Fluorobenzenes: Derivatives of BENZENE that contain FLUORINE.. monofluorobenzene : The simplest member of the class of monofluorobenzenes that is benzene carrying a single fluoro substituent.. fluorobenzenes : Any fluoroarene that is a benzene or a substituted benzene carrying at least one fluoro group. | 2.04 | 1 | 0 | monofluorobenzenes | NMR chemical shift reference compound |
| cholanthrene cholanthrene: structure given in first source | 2.04 | 1 | 0 | ||
| menadiol [no description available] | 2.04 | 1 | 0 | methylnaphthalenes; naphthalenediols; naphthohydroquinone | |
| 1-chloro-2-methylpropene [no description available] | 1.98 | 1 | 0 | organochlorine compound | |
| hemimellitene hemimellitene: structure. 1,2,3-trimethylbenzene : A trimethylbenzene carrying methyl groups at positions 1, 2 and 3. It has been found in Centaurium erythraea. | 2.04 | 1 | 0 | trimethylbenzene | neurotoxin; plant metabolite |
| 1-chloropropane 1-chloropropane: structure in first source | 2.04 | 1 | 0 | ||
| 2,2,4-trimethylpentane 2,2,4-trimethylpentane: nephrotoxic. isooctane : An alkane that consists of pentane bearing two methyl substituents at position 2 and a single methyl substituent at position 4. | 2.04 | 1 | 0 | alkane; volatile organic compound | fuel additive; nephrotoxin; non-polar solvent |
| 1,3-dichlorobenzene 1,3-dichlorobenzene : A dichlorobenzene carrying chloro substituents at positions 1 and 3. | 2.04 | 1 | 0 | dichlorobenzene | |
| 1-chlorohexane [no description available] | 2.41 | 2 | 0 | ||
| 3-chloro-2-methylprop-1-ene [no description available] | 1.98 | 1 | 0 | organochlorine compound | |
| 1,4-dimethylnaphthalene 1,4-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 1 and 4. | 2.04 | 1 | 0 | dimethylnaphthalene | |
| 2,6-dimethylnaphthalene 2,6-dimethylnaphthalene: RN given refers to parent cpd. 2,6-dimethylnaphthalene : A dimethylnaphthalene carrying methyl groups at positions 2 and 6. | 2.04 | 1 | 0 | dimethylnaphthalene | environmental contaminant |
| 1,2-dibromobenzene dibromobenzene : Any member of the class of bromobenzenes that consists of a benzene or a substituted benzene ring carrying two bromo groups at unspecified positions. | 2.04 | 1 | 0 | dibromobenzene | |
| iodobenzene iodobenzene: RN given refers to unlabeled parent cpd | 2.04 | 1 | 0 | ||
| 1-hexene 1-hexene: structure in first source. 1-hexene : An alkene that is hexane carrying a double bond at position 1. | 2.04 | 1 | 0 | alkene | |
| 2,2-dichloropropane 2,2-dichloropropane: a water pollutant | 1.98 | 1 | 0 | ||
| pentachlorobenzene pentachlorobenzene: structure. pentachlorobenzene : A member of the class of pentachlorobenzenes that is benzene in which five of the hydrogens are replaced by chlorines. Now classed as a persistent organic pollutant under the Stockholm Convention. | 2.04 | 1 | 0 | pentachlorobenzenes | persistent organic pollutant |
| 2-methylanthracene 2-methylanthracene: structure given in first source | 2.04 | 1 | 0 | ||
| 1,1,1,2-tetrachloroethane 1,1,1,2-tetrachloroethane: see also record for tetrachloroethane | 1.98 | 1 | 0 | chloroethanes | |
| 1,2,3,4-tetrachlorobenzene 1,2,3,4-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2 , 3 and 4.. tetrachlorobenzene : Any member of the class of chlorobenzenes carrying four chloro groups at unspecified positions. | 2.04 | 1 | 0 | tetrachlorobenzene | |
| 1,2,3,5-tetrachlorobenzene 1,2,3,5-tetrachlorobenzene : A tetrachlorobenzene carrying chloro groups at positions 1, 2, 3 and 5. | 2.04 | 1 | 0 | tetrachlorobenzene | |
| 9-methylanthracene [no description available] | 2.04 | 1 | 0 | ||
| 9,10-dimethylanthracene 9,10-dimethylanthracene: RN given refers to parent ion | 2.04 | 1 | 0 | ||
| norflurane norflurane: may replace R 12 as air-conditioning refrigerant; structure given in first source | 3.27 | 1 | 0 | ||
| undecane undecane : A straight-chain alkane with 11 carbon atoms. | 2.04 | 1 | 0 | alkane | |
| d-alpha tocopherol Vitamin E: A generic descriptor for all TOCOPHEROLS and TOCOTRIENOLS that exhibit ALPHA-TOCOPHEROL activity. By virtue of the phenolic hydrogen on the 2H-1-benzopyran-6-ol nucleus, these compounds exhibit varying degree of antioxidant activity, depending on the site and number of methyl groups and the type of ISOPRENOIDS.. tocopherol : A collective name for a group of closely related lipids that contain a chroman-6-ol nucleus substituted at position 2 by a methyl group and by a saturated hydrocarbon chain consisting of three isoprenoid units. They are designated as alpha-, beta-, gamma-, and delta-tocopherol depending on the number and position of additional methyl substituents on the aromatic ring. Tocopherols occur in vegetable oils and vegetable oil products, almost exclusively with R,R,R configuration. Tocotrienols differ from tocopherols only in having three double bonds in the hydrocarbon chain.. vitamin E : Any member of a group of fat-soluble chromanols that exhibit biological activity against vitamin E deficiency. The vitamers in this class consists of a chroman-6-ol core which is substituted at position 2 by a methyl group and (also at position 2) either a saturated or a triply-unsaturated hydrocarbon chain consisting of three isoprenoid units. The major function of vitamin E is to act as a natural antioxidant by scavenging free radicals and molecular oxygen.. (R,R,R)-alpha-tocopherol : An alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. | 2.04 | 1 | 0 | alpha-tocopherol | algal metabolite; antiatherogenic agent; anticoagulant; antioxidant; antiviral agent; EC 2.7.11.13 (protein kinase C) inhibitor; immunomodulator; micronutrient; nutraceutical; plant metabolite |
| 6-methylchrysene 6-methylchrysene: RN given refers to parent cpd; structure given in first source | 2.04 | 1 | 0 | carbopolycyclic compound | |
| 1,1-dichloro-1-fluoroethane [no description available] | 3.58 | 2 | 0 | ||
| decane decane : A straight-chain alkane with 10 carbon atoms. | 2.04 | 1 | 0 | alkane | |
| tetrabutylammonium tetrabutylammonium: lipophilic probe; RN given refers to parent cpd | 1.97 | 1 | 0 | quaternary ammonium ion | |
| 12-methylbenzanthracene [no description available] | 2.04 | 1 | 0 | ||
| 2-methylphenanthrene [no description available] | 2.04 | 1 | 0 | ||
| 7-methylbenzanthracene [no description available] | 2.04 | 1 | 0 | ||
| 1,1,1,2-tetrafluoro-2-chloroethane 1,1,1,2-tetrafluoro-2-chloroethane: refrigerant | 3.27 | 1 | 0 | ||
| 5-methylchrysene 5-methylchrysene: methylchrysenes in tobacco smoke are suspected to contribute to tumorigenicity of this inhalant; RN given refers to unlabeled cpd; structure | 2.04 | 1 | 0 | carbopolycyclic compound | |
| 5,6-dimethylchrysene 5,6-dimethylchrysene: structure given in first source | 2.04 | 1 | 0 | ||
| 7-ethylbenz(a)anthracene [no description available] | 2.04 | 1 | 0 | ||
| ozone Ozone: The unstable triatomic form of oxygen, O3. It is a powerful oxidant that is produced for various chemical and industrial uses. Its production is also catalyzed in the ATMOSPHERE by ULTRAVIOLET RAY irradiation of oxygen or other ozone precursors such as VOLATILE ORGANIC COMPOUNDS and NITROGEN OXIDES. About 90% of the ozone in the atmosphere exists in the stratosphere (STRATOSPHERIC OZONE).. ozone : An elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112degreeC) that has a characteristic, pungent odour, it is continuously produced in the upper atmosphere by the action of solar ultraviolet radiation on atmospheric oxygen. It is an antimicrobial agent used in the production of bottled water, as well as in the treatment of meat, poultry and other foodstuffs. | 2.06 | 1 | 0 | elemental molecule; gas molecular entity; reactive oxygen species; triatomic oxygen | antiseptic drug; disinfectant; electrophilic reagent; greenhouse gas; mutagen; oxidising agent; tracer |
| phenyl acetate phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid. | 1.98 | 1 | 0 | benzenes; phenyl acetates | |
| chlorodibromomethane [no description available] | 1.98 | 1 | 0 | organochlorine compound | |
| tetrachloroethylene Tetrachloroethylene: A chlorinated hydrocarbon used as an industrial solvent and cooling liquid in electrical transformers. It is a potential carcinogen. | 2.68 | 3 | 0 | chlorocarbon; chloroethenes | nephrotoxic agent |
| pyrene pyrene: structure in Merck Index, 9th ed, #7746. pyrene : An ortho- and peri-fused polycyclic arene consisting of four fused benzene rings, resulting in a flat aromatic system. | 2.04 | 1 | 0 | ortho- and peri-fused polycyclic arene | fluorescent probe; persistent organic pollutant |
| 2,3,4,5-tetrachlorobiphenyl tetrachlorobiphenyl : Any polychlorobiphenyl with molecular formula C12H6Cl4. | 2.04 | 1 | 0 | tetrachlorobenzene; tetrachlorobiphenyl | |
| 2,5-dichlorobiphenyl 2,5-dichlorobiphenyl : A dichlorobiphenyl that is p-dichlorobenzene in which one of the hydrogens has been replaced by a phenyl group. | 2.04 | 1 | 0 | dichlorobenzene; dichlorobiphenyl | |
| 2,4'-dichlorobiphenyl 2,4'-dichlorobiphenyl: RN given refers to unlabeled cpd. 2,4'-dichlorobiphenyl : A dichlorobiphenyl that is chlorobenzene in which the hydrogen at position 2 has been replaced by a 4-chlorophenyl group. | 2.04 | 1 | 0 | dichlorobiphenyl; monochlorobenzenes | |
| 2,4,6-trichlorobiphenyl 2,4,6-trichlorobiphenyl: structure given in first source | 2.04 | 1 | 0 | ||
| desflurane Desflurane: A fluorinated ether that is used as a volatile anesthetic for maintenance of general anesthesia. | 2 | 1 | 0 | organofluorine compound | inhalation anaesthetic |
| 1,1,1,3,3-pentafluoropropane [no description available] | 3.27 | 1 | 0 | ||
| nicotine (S)-nicotine : A 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum. | 2.01 | 1 | 0 | 3-(1-methylpyrrolidin-2-yl)pyridine | anxiolytic drug; biomarker; immunomodulator; mitogen; neurotoxin; nicotinic acetylcholine receptor agonist; peripheral nervous system drug; phytogenic insecticide; plant metabolite; psychotropic drug; teratogenic agent; xenobiotic |
| biotin vitamin B7 : Any member of a group of vitamers that belong to the chemical structural class called biotins that exhibit biological activity against vitamin B7 deficiency. Vitamin B7 deficiency is very rare in individuals who take a normal balanced diet. Foods rich in biotin are egg yolk, liver, cereals, vegetables (spinach, mushrooms) and rice. Symptoms associated with vitamin B7 deficiency include thinning hair, scaly skin rashes around eyes, nose and mouth, and brittle nails. The vitamers include biotin and its ionized and salt forms. | 2.04 | 1 | 0 | biotins; vitamin B7 | coenzyme; cofactor; Escherichia coli metabolite; fundamental metabolite; human metabolite; mouse metabolite; nutraceutical; prosthetic group; Saccharomyces cerevisiae metabolite |
| 2-chlorobiphenyl 2-chlorobiphenyl: RN from Toxlit. 2-chlorobiphenyl : A monochlorobiphenyl carrying a single chloro substituent at position 2.. monochlorobiphenyl : A chlorobiphenyl carrying a single chloro substituent at unspecified position.. chlorobiphenyl : A chloroarene that consists of a biphenyl skeleton substituted by one or more chloro groups. | 2.04 | 1 | 0 | monochlorobiphenyl | |
| 7-dehydrocholesterol [no description available] | 2.04 | 1 | 0 | 3beta-hydroxy-Delta(5)-steroid; 3beta-sterol; cholestanoid; Delta(5),Delta(7)-sterol | human metabolite; mouse metabolite |
| retinol Vitamin A: Retinol and derivatives of retinol that play an essential role in metabolic functioning of the retina, the growth of and differentiation of epithelial tissue, the growth of bone, reproduction, and the immune response. Dietary vitamin A is derived from a variety of CAROTENOIDS found in plants. It is enriched in the liver, egg yolks, and the fat component of dairy products.. vitamin A : Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.. all-trans-retinol : A retinol in which all four exocyclic double bonds have E- (trans-) geometry.. retinol : A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraen-1-ol substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). | 2.04 | 1 | 0 | retinol; vitamin A | human metabolite; mouse metabolite; plant metabolite |
| 2,3,3,3-tetrafluoropropene 2,3,3,3-tetrafluoropropene: structure in first source | 3.27 | 1 | 0 | ||
| vitamin d 2 Ergocalciferols: Derivatives of ERGOSTEROL formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. They differ from CHOLECALCIFEROL in having a double bond between C22 and C23 and a methyl group at C24.. vitamin D2 : A vitamin D supplement and has been isolated from alfalfa. | 2.04 | 1 | 0 | hydroxy seco-steroid; seco-ergostane; vitamin D | bone density conservation agent; nutraceutical; plant metabolite; rodenticide |
| cholecalciferol Cholecalciferol: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at C24.. calciol : A hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vitamin D3, being hydroxylated in the liver to calcidiol (25-hydroxyvitamin D3), which is then further hydroxylated in the kidney to give calcitriol (1,25-dihydroxyvitamin D3), the active hormone. | 2.04 | 1 | 0 | D3 vitamins; hydroxy seco-steroid; seco-cholestane; secondary alcohol; steroid hormone | geroprotector; human metabolite |
| rutin Hydroxyethylrutoside: Monohydroxyethyl derivative of rutin. Peripheral circulation stimulant used in treatment of venous disorders. | 2.04 | 1 | 0 | disaccharide derivative; quercetin O-glucoside; rutinoside; tetrahydroxyflavone | antioxidant; metabolite |
| vitamin k 1 Vitamin K 1: A family of phylloquinones that contains a ring of 2-methyl-1,4-naphthoquinone and an isoprenoid side chain. Members of this group of vitamin K 1 have only one double bond on the proximal isoprene unit. Rich sources of vitamin K 1 include green plants, algae, and photosynthetic bacteria. Vitamin K1 has antihemorrhagic and prothrombogenic activity.. phylloquinone : A member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquinones. | 2.04 | 1 | 0 | phylloquinones; vitamin K | cofactor; human metabolite; plant metabolite |
| vitamin a2 vitamin A2: RN given refers to cpd without isomeric designation. all-trans-3,4-didehydroretinol : A retinoid derived from 3,4-desaturation of the beta-ionone ring of all-trans-retinol. | 2.04 | 1 | 0 | retinoid; vitamin A | human xenobiotic metabolite; marine xenobiotic metabolite; mouse metabolite |
| nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety. | 1.98 | 1 | 0 | organophosphate oxoanion | cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite |
| phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety. | 1.96 | 1 | 0 | 1,2-diacyl-sn-glycero-3-phosphocholine | |
| (9R)-9-chloro-11,17-dihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one Beclomethasone: An anti-inflammatory, synthetic glucocorticoid. It is used topically as an anti-inflammatory agent and in aerosol form for the treatment of ASTHMA.. beclomethasone : A 17alpha-hydroxy steroid that is prednisolone in which the hydrogens at the 9alpha and 16beta positions are substituted by a chlorine and a methyl group, respectively. | 2.05 | 1 | 0 | 21-hydroxy steroid | |
| heme Heme: The color-furnishing portion of hemoglobin. It is found free in tissues and as the prosthetic group in many hemeproteins.. ferroheme : Any iron(II)--porphyrin coordination complex.. ferroheme b : Heme b in which the iron has oxidation state +2.. heme : A heme is any tetrapyrrolic chelate of iron. | 1.98 | 1 | 0 | ||
| ascorbic acid Ascorbic Acid: A six carbon compound related to glucose. It is found naturally in citrus fruits and many vegetables. Ascorbic acid is an essential nutrient in human diets, and necessary to maintain connective tissue and bone. Its biologically active form, vitamin C, functions as a reducing agent and coenzyme in several metabolic pathways. Vitamin C is considered an antioxidant.. L-ascorbic acid : The L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate.. L-ascorbate : The L-enantiomer of ascorbate and conjugate base of L-ascorbic acid, arising from selective deprotonation of the 3-hydroxy group. Required for a range of essential metabolic reactions in all animals and plants.. vitamin C : Any member of a group of vitamers that belong to the chemical structural class called butenolides that exhibit biological activity against vitamin C deficiency in animals. The vitamers include L-ascorbic acid and its salt, ionized and oxidized forms. | 2.04 | 1 | 0 | ascorbic acid; vitamin C | coenzyme; cofactor; flour treatment agent; food antioxidant; food colour retention agent; geroprotector; plant metabolite; skin lightening agent |
| folic acid folcysteine: used to promote fertility in chickens. vitamin B9 : Any B-vitamin that exhibits biological activity against vitamin B9 deficiency. Vitamin B9 refers to the many forms of folic acid and its derivatives, including tetrahydrofolic acid (the active form), methyltetrahydrofolate (the primary form found in blood), methenyltetrahydrofolate, folinic acid amongst others. They are present in abundance in green leafy vegetables, citrus fruits, and animal products. Lack of vitamin B9 leads to anemia, a condition in which the body cannot produce sufficient number of red blood cells. Symptoms of vitamin B9 deficiency include fatigue, muscle weakness, and pale skin. | 2.04 | 1 | 0 | folic acids; N-acyl-amino acid | human metabolite; mouse metabolite; nutrient |
| recombinant soluble cd4 recombinant soluble CD4: recombinant CD4 with the transmembrane and C-terminal regions deleted; blocks in vitro infectivity of HIV | 2.13 | 1 | 0 |
| Condition | Indicated | Relationship Strength | Studies | Trials |
|---|---|---|---|---|
| Aneuploid [description not available] | 0 | 1.98 | 1 | 0 |
| Protein Aggregation, Pathological A biochemical phenomenon in which misfolded proteins aggregate either intra- or extracellularly. Triggered by factors such as MUTATION; POST-TRANSLATIONAL MODIFICATIONS, and environmental stress, it is generally associated with ALZHEIMER DISEASE; PARKINSON DISEASE; HUNTINGTON DISEASE; and TYPE 2 DIABETES MELLITUS. | 0 | 2.11 | 1 | 0 |
| HIV Coinfection [description not available] | 0 | 2.13 | 1 | 0 |
| HIV Infections Includes the spectrum of human immunodeficiency virus infections that range from asymptomatic seropositivity, thru AIDS-related complex (ARC), to acquired immunodeficiency syndrome (AIDS). | 0 | 2.13 | 1 | 0 |
| Friedreich Disease [description not available] | 0 | 2.96 | 1 | 0 |
| Friedreich Ataxia An autosomal recessive disease, usually of childhood onset, characterized pathologically by degeneration of the spinocerebellar tracts, posterior columns, and to a lesser extent the corticospinal tracts. Clinical manifestations include GAIT ATAXIA, pes cavus, speech impairment, lateral curvature of spine, rhythmic head tremor, kyphoscoliosis, congestive heart failure (secondary to a cardiomyopathy), and lower extremity weakness. Most forms of this condition are associated with a mutation in a gene on chromosome 9, at band q13, which codes for the mitochondrial protein frataxin. (From Adams et al., Principles of Neurology, 6th ed, p1081; N Engl J Med 1996 Oct 17;335(16):1169-75) The severity of Friedreich ataxia associated with expansion of GAA repeats in the first intron of the frataxin gene correlates with the number of trinucleotide repeats. (From Durr et al, N Engl J Med 1996 Oct 17;335(16):1169-75) | 0 | 2.96 | 1 | 0 |
| Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed) | 0 | 2.02 | 1 | 0 |
| Asthma, Bronchial [description not available] | 0 | 1.98 | 1 | 0 |
| Breathlessness [description not available] | 0 | 1.98 | 1 | 0 |
| Asthma A form of bronchial disorder with three distinct components: airway hyper-responsiveness (RESPIRATORY HYPERSENSITIVITY), airway INFLAMMATION, and intermittent AIRWAY OBSTRUCTION. It is characterized by spasmodic contraction of airway smooth muscle, WHEEZING, and dyspnea (DYSPNEA, PAROXYSMAL). | 0 | 1.98 | 1 | 0 |
| Dyspnea Difficult or labored breathing. | 0 | 1.98 | 1 | 0 |
| Adrenal Cancer [description not available] | 0 | 1.97 | 1 | 0 |
| Angiosarcoma [description not available] | 0 | 1.97 | 1 | 0 |
| Cancer of Liver [description not available] | 0 | 1.97 | 1 | 0 |
| Pheochromocytoma, Extra-Adrenal [description not available] | 0 | 1.97 | 1 | 0 |
| Experimental Mammary Neoplasms [description not available] | 0 | 1.97 | 1 | 0 |
| Hemangiosarcoma A rare malignant neoplasm characterized by rapidly proliferating, extensively infiltrating, anaplastic cells derived from blood vessels and lining irregular blood-filled or lumpy spaces. (Stedman, 25th ed) | 0 | 1.97 | 1 | 0 |
| Liver Neoplasms Tumors or cancer of the LIVER. | 0 | 1.97 | 1 | 0 |
| Pheochromocytoma A usually benign, well-encapsulated, lobular, vascular tumor of chromaffin tissue of the ADRENAL MEDULLA or sympathetic paraganglia. The cardinal symptom, reflecting the increased secretion of EPINEPHRINE and NOREPINEPHRINE, is HYPERTENSION, which may be persistent or intermittent. During severe attacks, there may be HEADACHE; SWEATING, palpitation, apprehension, TREMOR; PALLOR or FLUSHING of the face, NAUSEA and VOMITING, pain in the CHEST and ABDOMEN, and paresthesias of the extremities. The incidence of malignancy is as low as 5% but the pathologic distinction between benign and malignant pheochromocytomas is not clear. (Dorland, 27th ed; DeVita Jr et al., Cancer: Principles & Practice of Oncology, 3d ed, p1298) | 0 | 1.97 | 1 | 0 |
| Dermatoses [description not available] | 0 | 1.96 | 1 | 0 |
| Skin Diseases Diseases involving the DERMIS or EPIDERMIS. | 0 | 1.96 | 1 | 0 |