benzquinamide (emete-con) Report issue

Small molecule Approved FDA
ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem

Back

Chemistry

Mol. Mass

404.51

ALogP

2.42

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CCN(CC)C(=O)C1CN2CCc3cc(OC)c(OC)cc3C2CC1OC(C)=O
  • InChIKey: JSZILQVIPPROJI-UHFFFAOYSA-N
    InChI=1S/C22H32N2O5/c1-6-23(7-2)22(26)17-13-24-9-8-15-10-20(27-4)21(28-5)11-16(15)18(24)12-19(17)29-14(3)25/h10-11,17-19H,6-9,12-13H2,1-5H3
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201250   ChEMBL
benzquinamide *

CHEMBL1200707   ChEMBL
benzquinamide hydrochloride

0475EA27Q3   NCATS
benzquinamide *

Benzquinamide   Wikipedia

Feedback

Data collection and curation is an ongoing process for CDEK - if you notice any information here to be missing or incorrect, please let us know! When possible, please include a source URL (we verify all data prior to inclusion).

Report issue