METHYL TIAGABINATE

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 Search

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

Molecular Formula	C21H27NO2S2
Molecular Weight	389.575
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:56:47 GMT 2025` Edited by `admin` on `Wed Apr 02 12:56:47 GMT 2025`
Record UNII	9MS8XY2765
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-TIAGABINE 4-CARBOXY-O-METHYL

Preferred Name

English

METHYL TIAGABINATE

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 Wed Apr 02 12:56:47 GMT 2025 , Edited by admin on Wed Apr 02 12:56:47 GMT 2025

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PUBCHEM

156596381

Created by admin on Wed Apr 02 12:56:47 GMT 2025 , Edited by admin on Wed Apr 02 12:56:47 GMT 2025

PRIMARY

FDA UNII

9MS8XY2765

Created by admin on Wed Apr 02 12:56:47 GMT 2025 , Edited by admin on Wed Apr 02 12:56:47 GMT 2025

PRIMARY

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TIAGABINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: