TIAGABINE, (S)-

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=PBJUNZJWGZTSKL-INIZCTEOSA-N

InChI=1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H25NO2S2
Molecular Weight	375.548
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 `Sat Dec 16 18:50:56 GMT 2023` Edited by `admin` on `Sat Dec 16 18:50:56 GMT 2023`
Record UNII	3CA4BV45Y6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TIAGABINE, (S)-

Common Name

English

TIAGABINE (S)-(+) ISOMER

Common Name

English

3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(3-METHYL-2-THIENYL)-3-BUTEN-1-YL)-, (3S)-

Common Name

English

(S)-TIAGABINE

Common Name

English

Code System Code Type Description

PUBCHEM

10452119

Created by admin on Sat Dec 16 18:50:56 GMT 2023 , Edited by admin on Sat Dec 16 18:50:56 GMT 2023

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FDA UNII

3CA4BV45Y6

Created by admin on Sat Dec 16 18:50:56 GMT 2023 , Edited by admin on Sat Dec 16 18:50:56 GMT 2023

PRIMARY

CAS

115103-55-4

Created by admin on Sat Dec 16 18:50:56 GMT 2023 , Edited by admin on Sat Dec 16 18:50:56 GMT 2023

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