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]
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).