Details of the Drug

General Information of Drug (ID: DMSG7HB)

Drug Name

Allyl isothiocyanate

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

Indication

Disease Entry	ICD 11	Status	REF
Acute or chronic pain	MG30-MG31	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C4H5NS
Canonical SMILES: C=CCN=C=S
InChI: 1S/C4H5NS/c1-2-3-5-4-6/h2H,1,3H2
InChIKey: ZOJBYZNEUISWFT-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5971
ChEBI ID: CHEBI:73224
CAS Number: 57-06-7
TTD ID: D0BQ8Y

References

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).