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Details

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

SHOW SMILES / InChI
Structure of TIAGABINE 4-METHYLTHIOPHENE ISOMER

SMILES

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

InChI

InChIKey=OXZOKITXBCIECG-MRXNPFEDSA-N
InChI=1S/C20H25NO2S2/c1-14-9-18(24-12-14)17(19-10-15(2)13-25-19)6-4-8-21-7-3-5-16(11-21)20(22)23/h6,9-10,12-13,16H,3-5,7-8,11H2,1-2H3,(H,22,23)/t16-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
TIAGABINE 4-METHYLTHIOPHENE ISOMER
Common Name English
3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(4-METHYL-2-THIENYL)-3-BUTEN-1-YL)-
Systematic Name English
(R)-1-(4,4-BIS(4-METHYL-2-THIENYL)-3-BUTEN-1-YL)-3-PIPERIDINECARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
CAS
109857-65-0
Created by admin on Sat Dec 16 18:27:59 GMT 2023 , Edited by admin on Sat Dec 16 18:27:59 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
20060169
Created by admin on Sat Dec 16 18:27:59 GMT 2023 , Edited by admin on Sat Dec 16 18:27:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID40602002
Created by admin on Sat Dec 16 18:27:59 GMT 2023 , Edited by admin on Sat Dec 16 18:27:59 GMT 2023
PRIMARY
FDA UNII
VW82A7Z6XK
Created by admin on Sat Dec 16 18:27:59 GMT 2023 , Edited by admin on Sat Dec 16 18:27:59 GMT 2023
PRIMARY
RS_ITEM_NUM
1667122
Created by admin on Sat Dec 16 18:27:59 GMT 2023 , Edited by admin on Sat Dec 16 18:27:59 GMT 2023
PRIMARY
NIH
NCATS
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