Gabaculine, hydrochloride, (±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C7H9NO2.ClH
Molecular Weight	175.613
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Gabaculine, hydrochloride, (±)-

Structure Search

SMILES

Cl.NC1CC(=CC=C1)C(O)=O

InChI

InChIKey=OBZFLUDUSNCZKL-UHFFFAOYSA-N

InChI=1S/C7H9NO2.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-3,6H,4,8H2,(H,9,10);1H

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Gamma-amino-N-butyrate transaminase 9 Target ID: CHEMBL2044 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7387260	Inhibitor 8297		1.8 µM [IC50]

Name

Type

Language

Gabaculine, hydrochloride, (±)-

Common Name

English

1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride

Systematic Name

English

1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride (1:1)

Systematic Name

English

1,3-Cyclohexadiene-1-carboxylic acid, 5-amino-, hydrochloride, (±)-

Systematic Name

English

5-Amino-1,3-cyclohexadiene-1-carboxylic acid hydrochloride

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID10974965

Created by admin on Sat Dec 16 19:28:29 GMT 2023 , Edited by admin on Sat Dec 16 19:28:29 GMT 2023

PRIMARY

FDA UNII

C3VM79824Q

Created by admin on Sat Dec 16 19:28:29 GMT 2023 , Edited by admin on Sat Dec 16 19:28:29 GMT 2023

PRIMARY

PUBCHEM

198382

Created by admin on Sat Dec 16 19:28:29 GMT 2023 , Edited by admin on Sat Dec 16 19:28:29 GMT 2023

PRIMARY

CAS

59556-17-1

Created by admin on Sat Dec 16 19:28:29 GMT 2023 , Edited by admin on Sat Dec 16 19:28:29 GMT 2023

PRIMARY

PARENT (SALT/SOLVATE)


					ZK7T58839G

GABACULINE, (±)-

SUBSTANCE RECORD


					C3VM79824Q

Gabaculine, hydrochloride, (±)-