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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H17N3O3
Molecular Weight 287.3138
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GABAZINE FREE BASE

SMILES

COC1=CC=C(C=C1)C2=NN(CCCC(O)=O)C(=N)C=C2

InChI

InChIKey=ACVGNKYJVGNLIL-UHFFFAOYSA-N
InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)

HIDE SMILES / InChI

Approval Year

Name Type Language
GABAZINE FREE BASE
Common Name English
1,6-DIHYDRO-6-IMINO-3-(4-METHOXYPHENYL)-1-PYRIDAZINEBUTANOIC ACID
Systematic Name English
4-(6-IMINO-3-(4-METHOXYPHENYL)-1(6H)-PYRIDAZINYL)BUTANOIC ACID
Systematic Name English
1(6H)-PYRIDAZINEBUTANOIC ACID, 6-IMINO-3-(4-METHOXYPHENYL)-
Systematic Name English
4-(6-IMINO-3-(4-METHOXYPHENYL)PYRIDAZIN-1(6H)-YL)BUTANOIC ACID
Systematic Name English
2-(3-CARBOXYPROPYL)-3-AMINO-6-(4-METHOXYPHENYL)PYRIDAZINIUM
Systematic Name English
SR95531
Code English
J331.170H
Code English
4-(6-IMINO-3-(4-METHOXYPHENYL)PYRIDAZIN-1-YL)BUTANOIC ACID
Systematic Name English
6-IMINO-3-(4-METHOXYPHENYL)-1(6H)-PYRIDAZINEBUTANOIC ACID
Systematic Name English
C13796
Code English
Code System Code Type Description
FDA UNII
L45297DIU1
Created by admin on Sat Dec 16 08:52:38 UTC 2023 , Edited by admin on Sat Dec 16 08:52:38 UTC 2023
PRIMARY
CAS
105538-73-6
Created by admin on Sat Dec 16 08:52:38 UTC 2023 , Edited by admin on Sat Dec 16 08:52:38 UTC 2023
PRIMARY
PUBCHEM
107896
Created by admin on Sat Dec 16 08:52:38 UTC 2023 , Edited by admin on Sat Dec 16 08:52:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID20276043
Created by admin on Sat Dec 16 08:52:38 UTC 2023 , Edited by admin on Sat Dec 16 08:52:38 UTC 2023
PRIMARY