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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO2S2
Molecular Weight 389.575
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL TIAGABINATE

SMILES

COC(=O)[C@@H]1CCCN(CCC=C(C2=C(C)C=CS2)C3=C(C)C=CS3)C1

InChI

InChIKey=SYEVPDBMLIZQKO-QGZVFWFLSA-N
InChI=1S/C21H27NO2S2/c1-15-8-12-25-19(15)18(20-16(2)9-13-26-20)7-5-11-22-10-4-6-17(14-22)21(23)24-3/h7-9,12-13,17H,4-6,10-11,14H2,1-3H3/t17-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYL TIAGABINATE
Common Name English
(R)-TIAGABINE 4-CARBOXY-O-METHYL
Common Name English
TIAGABINE METHYL ESTER [USP IMPURITY]
Common Name English
3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-, METHYL ESTER, (3R)-
Systematic Name English
METHYL (R)-1-(4,4-BIS(3-METHYLTHIOPHEN-2-YL)BUT-3-EN-1-YL)PIPERIDINE-3-CARBOXYLATE
Systematic Name English
METHYL (3R)-1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-3-PIPERIDINECARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
938158-99-7
Created by admin on Sat Dec 16 18:57:24 GMT 2023 , Edited by admin on Sat Dec 16 18:57:24 GMT 2023
PRIMARY
PUBCHEM
156596381
Created by admin on Sat Dec 16 18:57:24 GMT 2023 , Edited by admin on Sat Dec 16 18:57:24 GMT 2023
PRIMARY
FDA UNII
9MS8XY2765
Created by admin on Sat Dec 16 18:57:24 GMT 2023 , Edited by admin on Sat Dec 16 18:57:24 GMT 2023
PRIMARY