(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-(4-(2-(2-OXO-3H-BENZIMIDAZOL-1-YL)ETHYL)PIPERAZIN-1-YL)-2-(TRIFLUOROMETHYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H29F3N4O8
Molecular Weight	582.5257
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-(4-(2-(2-OXO-3H-BENZIMIDAZOL-1-YL)ETHYL)PIPERAZIN-1-YL)-2-(TRIFLUOROMETHYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=CC=C(C=C2C(F)(F)F)N3CCN(CCN4C(=O)NC5=C4C=CC=C5)CC3)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=STKFDOHMEUCRTP-QMDPOKHVSA-N

InChI=1S/C26H29F3N4O8/c27-26(28,29)15-13-14(5-6-18(15)40-24-21(36)19(34)20(35)22(41-24)23(37)38)32-10-7-31(8-11-32)9-12-33-17-4-2-1-3-16(17)30-25(33)39/h1-6,13,19-22,24,34-36H,7-12H2,(H,30,39)(H,37,38)/t19-,20-,21+,22-,24+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(4-(4-(2-(2-OXO-3H-BENZIMIDAZOL-1-YL)ETHYL)PIPERAZIN-1-YL)-2-(TRIFLUOROMETHYL)PHENOXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

BI 404016 ZW

Common Name

English

FLIBANSERIN METABOLITE M26

Common Name

English

Code System Code Type Description

PUBCHEM

156596732

Created by admin on Sat Dec 16 15:11:12 GMT 2023 , Edited by admin on Sat Dec 16 15:11:12 GMT 2023