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Details

Stereochemistry EPIMERIC
Molecular Formula C20H27NO4S2
Molecular Weight 409.563
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TIAGABINE DIOL

SMILES

CC1=C(SC=C1)C(O)(C(O)CCN2CCC[C@H](C2)C(O)=O)C3=C(C)C=CS3

InChI

InChIKey=LRLPWDNQYQPWNA-AAFJCEBUSA-N
InChI=1S/C20H27NO4S2/c1-13-6-10-26-17(13)20(25,18-14(2)7-11-27-18)16(22)5-9-21-8-3-4-15(12-21)19(23)24/h6-7,10-11,15-16,22,25H,3-5,8-9,12H2,1-2H3,(H,23,24)/t15-,16?/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H27NO4S2
Molecular Weight 409.563
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:05:15 GMT 2023
Edited
by admin
on Sat Dec 16 19:05:15 GMT 2023
Record UNII
Z7AG2TRN8D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TIAGABINE DIOL
Common Name English
(3R)-1-(3,4-DIHYDROXY-4,4-BIS(3-METHYLTHIOPHEN-2-YL)BUTYL)PIPERIDINE-3-CARBOXYLIC ACID
Systematic Name English
TIAGABINE DIOL ANALOG [USP IMPURITY]
Common Name English
3-PIPERIDINECARBOXYLIC ACID, 1-(3,4-DIHYDROXY-4,4-BIS(3-METHYL-2-THIENYL)BUTYL)-, (3R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
156596492
Created by admin on Sat Dec 16 19:05:15 GMT 2023 , Edited by admin on Sat Dec 16 19:05:15 GMT 2023
PRIMARY
CAS
2125725-84-8
Created by admin on Sat Dec 16 19:05:15 GMT 2023 , Edited by admin on Sat Dec 16 19:05:15 GMT 2023
PRIMARY
FDA UNII
Z7AG2TRN8D
Created by admin on Sat Dec 16 19:05:15 GMT 2023 , Edited by admin on Sat Dec 16 19:05:15 GMT 2023
PRIMARY
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