TIAGABINE DIOL

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 Search

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 `Wed Apr 02 13:35:16 GMT 2025` Edited by `admin` on `Wed Apr 02 13:35:16 GMT 2025`
Record UNII	Z7AG2TRN8D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIAGABINE DIOL ANALOG [USP IMPURITY]

Preferred Name

English

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

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 Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

CAS

2125725-84-8

Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

FDA UNII

Z7AG2TRN8D

Created by admin on Wed Apr 02 13:35:16 GMT 2025 , Edited by admin on Wed Apr 02 13:35:16 GMT 2025

PRIMARY

Related Record Type Details


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TIAGABINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: