TIAGABINE ETHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29NO2S2
Molecular Weight	403.601
Optical Activity	( - )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCOC(=O)[C@@H]1CCCN(CCC=C(C2=C(C)C=CS2)C3=C(C)C=CS3)C1

InChI

InChIKey=NSGCWILIYQUGIO-GOSISDBHSA-N

InChI=1S/C22H29NO2S2/c1-4-25-22(24)18-7-5-11-23(15-18)12-6-8-19(20-16(2)9-13-26-20)21-17(3)10-14-27-21/h8-10,13-14,18H,4-7,11-12,15H2,1-3H3/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H29NO2S2
Molecular Weight	403.601
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 12:45:01 GMT 2025` Edited by `admin` on `Wed Apr 02 12:45:01 GMT 2025`
Record UNII	DV2DX6QW4G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ETHYL TIAGABINATE

Preferred Name

English

TIAGABINE ETHYL ESTER

Common Name

English

TIAGABINE RELATED COMPOUND A [USP IMPURITY]

Common Name

English

ETHYL (3R)-1-(4,4-BIS(3-METHYLTHIEN-2-YL)-3-BUTENYL)PIPERIDINE-3-CARBOXYLATE

Systematic Name

English

ETHYL (3R)-1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-3-PIPERIDINECARBOXYLATE

Systematic Name

English

3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-, ETHYL ESTER, (3R)-

Systematic Name

English

Code System Code Type Description

CAS

145821-58-5

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

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PUBCHEM

11555813

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY

EPA CompTox

DTXSID70468496

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY

FDA UNII

DV2DX6QW4G

Created by admin on Wed Apr 02 12:45:01 GMT 2025 , Edited by admin on Wed Apr 02 12:45:01 GMT 2025

PRIMARY

Related Record Type Details


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TIAGABINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: