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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H25NO2S2
Molecular Weight 375.548
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIAGABINE, (S)-

SMILES

CC1=C(SC=C1)C(=CCCN2CCC[C@@H](C2)C(O)=O)C3=C(C)C=CS3

InChI

InChIKey=PBJUNZJWGZTSKL-INIZCTEOSA-N
InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TIAGABINE, (S)-
Common Name English
TIAGABINE (S)-(+) ISOMER
Common Name English
3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-, (3S)-
Common Name English
(S)-TIAGABINE
Common Name English
Code System Code Type Description
PUBCHEM
10452119
Created by admin on Sat Dec 16 18:50:56 GMT 2023 , Edited by admin on Sat Dec 16 18:50:56 GMT 2023
PRIMARY
FDA UNII
3CA4BV45Y6
Created by admin on Sat Dec 16 18:50:56 GMT 2023 , Edited by admin on Sat Dec 16 18:50:56 GMT 2023
PRIMARY
CAS
115103-55-4
Created by admin on Sat Dec 16 18:50:56 GMT 2023 , Edited by admin on Sat Dec 16 18:50:56 GMT 2023
PRIMARY