2-OXO-3-(2-(4-(4-SULFO-3-(TRIFLUOROMETHYL)PHENYL)PIPERAZIN-1-YL)ETHYL)-1H-BENZIMIDAZOLE-5-SULFONIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H21F3N4O7S2
Molecular Weight	550.529
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-OXO-3-(2-(4-(4-SULFO-3-(TRIFLUOROMETHYL)PHENYL)PIPERAZIN-1-YL)ETHYL)-1H-BENZIMIDAZOLE-5-SULFONIC ACID

Structure Search

SMILES

OS(=O)(=O)C1=CC2=C(NC(=O)N2CCN3CCN(CC3)C4=CC=C(C(=C4)C(F)(F)F)S(O)(=O)=O)C=C1

InChI

InChIKey=GKVARQAEJKPFHX-UHFFFAOYSA-N

InChI=1S/C20H21F3N4O7S2/c21-20(22,23)15-11-13(1-4-18(15)36(32,33)34)26-8-5-25(6-9-26)7-10-27-17-12-14(35(29,30)31)2-3-16(17)24-19(27)28/h1-4,11-12H,5-10H2,(H,24,28)(H,29,30,31)(H,32,33,34)

HIDE SMILES / InChI

Molecular Formula	C20H21F3N4O7S2
Molecular Weight	550.529
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:36:49 GMT 2023` Edited by `admin` on `Sat Dec 16 14:36:49 GMT 2023`
Record UNII	CT85K7JJ6H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-OXO-3-(2-(4-(4-SULFO-3-(TRIFLUOROMETHYL)PHENYL)PIPERAZIN-1-YL)ETHYL)-1H-BENZIMIDAZOLE-5-SULFONIC ACID

Systematic Name

English

FLIBANSERIN METABOLITE M25

Common Name

English

CD 11760 SE

Common Name

English

Code System Code Type Description

FDA UNII

CT85K7JJ6H

Created by admin on Sat Dec 16 14:36:49 GMT 2023 , Edited by admin on Sat Dec 16 14:36:49 GMT 2023

PRIMARY

PUBCHEM

156613966

Created by admin on Sat Dec 16 14:36:49 GMT 2023 , Edited by admin on Sat Dec 16 14:36:49 GMT 2023

PRIMARY

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FLIBANSERIN

PARENT -> METABOLITE

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