(R)-1-(4,4-BIS(3-METHYLTHIOPHEN-2-YL)-3-OXOBUTYL)PIPERIDINE-3-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H25NO3S2
Molecular Weight	391.547
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (R)-1-(4,4-BIS(3-METHYLTHIOPHEN-2-YL)-3-OXOBUTYL)PIPERIDINE-3-CARBOXYLIC ACID

Structure Search

SMILES

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

InChI

InChIKey=OEDNVFDJXRIEJE-OAHLLOKOSA-N

InChI=1S/C20H25NO3S2/c1-13-6-10-25-18(13)17(19-14(2)7-11-26-19)16(22)5-9-21-8-3-4-15(12-21)20(23)24/h6-7,10-11,15,17H,3-5,8-9,12H2,1-2H3,(H,23,24)/t15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H25NO3S2
Molecular Weight	391.547
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 19:11:27 GMT 2023` Edited by `admin` on `Sat Dec 16 19:11:27 GMT 2023`
Record UNII	MC43S5GXN2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(R)-1-(4,4-BIS(3-METHYLTHIOPHEN-2-YL)-3-OXOBUTYL)PIPERIDINE-3-CARBOXYLIC ACID

Systematic Name

English

3-PIPERIDINECARBOXYLIC ACID, 1-(4,4-BIS(3-METHYL-2-THIENYL)-3-OXOBUTYL)-, (R)-

Systematic Name

English

TIAGABINE KETO ANALOG [USP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

124930410

Created by admin on Sat Dec 16 19:11:27 GMT 2023 , Edited by admin on Sat Dec 16 19:11:27 GMT 2023

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FDA UNII

MC43S5GXN2

Created by admin on Sat Dec 16 19:11:27 GMT 2023 , Edited by admin on Sat Dec 16 19:11:27 GMT 2023

PRIMARY

CAS

161014-55-7

Created by admin on Sat Dec 16 19:11:27 GMT 2023 , Edited by admin on Sat Dec 16 19:11:27 GMT 2023

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TIAGABINE HYDROCHLORIDE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: