Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0BQ8Y
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| Former ID |
DNAP001614
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| Drug Name |
Allyl isothiocyanate
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| Synonyms |
ALLYL ISOTHIOCYANATE; 57-06-7; 3-isothiocyanatoprop-1-ene; MUSTARD OIL; Redskin; Oil Of mustard; Allylsenevol; Allylsenfoel; Allyl mustard oil; Oleum sinapis; Allylsevenolum; Senfoel; Volatile mustard oil; Allyl isosulfocyanate; Synthetic mustard oil; AITC; 2-Propenyl isothiocyanate; Carbospol; 1-Propene, 3-isothiocyanato-; Allyspol; Volatile oil of mustard; ALLYLISOTHIOCYANATE; Senf oel; Oleum sinapis volatile; Isothiocyanate d'allyle; 3-Isothiocyanato-1-propene; Allyl sevenolum; Oils, mustard; Mustard seed oil; Isothiocyanic acid all
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| Drug Type |
Small molecular drug
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| Indication | Acute or chronic pain [ICD-11: MG30-MG31] | Approved | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C4H5NS
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| Canonical SMILES |
C=CCN=C=S
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| InChI |
1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
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| InChIKey |
ZOJBYZNEUISWFT-UHFFFAOYSA-N
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| CAS Number |
CAS 57-06-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
71666, 588327, 3131867, 4882615, 8153711, 10527769, 11528317, 11528592, 14891411, 17390054, 17396976, 24862709, 24863504, 24900811, 48413174, 48422826, 48424810, 51026101, 53787903, 53788252, 56458796, 57323088, 57649607, 85174833, 87571567, 88812077, 103532940, 103847240, 104082424, 104310758, 104667724, 117394637, 117394697, 118053595, 121362150, 124489989, 124891324, 125335793, 126525542, 126567081, 126604050, 126677727, 129931662, 134353562, 134970695, 135253057, 135559129, 135649919, 137004960, 142372645
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| ChEBI ID |
CHEBI:73224
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2420). | |||
| REF 2 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
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