U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C22H32N2O5.ClH
Molecular Weight 440.961
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZQUINAMIDE HYDROCHLORIDE

SMILES

Cl.[H][C@@]12C[C@@H](OC(C)=O)[C@@H](CN1CCC3=CC(OC)=C(OC)C=C23)C(=O)N(CC)CC

InChI

InChIKey=KZLNXGBVFTWMPS-CVEUAIMDSA-N
InChI=1S/C22H32N2O5.ClH/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;1H/t17-,18+,19-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZQUINAMIDE HYDROCHLORIDE
MART.   ORANGE BOOK   VANDF   WHO-DD  
Common Name English
Benzquinamide hydrochloride [WHO-DD]
Common Name English
BENZQUINAMIDE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
BENZQUINAMIDE HYDROCHLORIDE [VANDF]
Common Name English
BENZQUINAMIDE HCL
Common Name English
BENZQUINAMIDE HYDROCHLORIDE [MART.]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66883
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
Code System Code Type Description
RXCUI
91272
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY RxNorm
FDA UNII
3221WFM86J
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
DRUG BANK
DBSALT001425
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
SMS_ID
100000085020
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
MESH
C100234
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
NCI_THESAURUS
C77569
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201250
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
PUBCHEM
76963258
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
CAS
113-69-9
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
ECHA (EC/EINECS)
204-033-3
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID70920968
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY
EVMPD
SUB00734MIG
Created by admin on Fri Dec 15 16:17:10 UTC 2023 , Edited by admin on Fri Dec 15 16:17:10 UTC 2023
PRIMARY