BENZQUINAMIDE HYDROCHLORIDE

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

Structure Search

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

Molecular Formula	C22H32N2O5
Molecular Weight	404.4999
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:17:10 UTC 2023` Edited by `admin` on `Fri Dec 15 16:17:10 UTC 2023`
Record UNII	3221WFM86J
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BENZQUINAMIDE HYDROCHLORIDE

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

Related Record Type Details


					0475EA27Q3

PARENT -> SALT/SOLVATE

Related Record Type Details


					0475EA27Q3

ACTIVE MOIETY