Details of the Drug

General Information of Drug (ID: DMU1EWA)

Drug Name
acetoacetic acid
Synonyms diacetic acid; acetoacetate
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C4H6O3
Canonical SMILES
CC(=O)CC(=O)O
InChI
1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey
WDJHALXBUFZDSR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
96
ChEBI ID
CHEBI:15344
CAS Number
541-50-4
TTD ID
D06LBL

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: 4522).