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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

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 UTC 2023
Edited
by admin
on Sat Dec 16 14:36:49 UTC 2023
Record UNII
CT85K7JJ6H
Record Status Validated (UNII)
Record Version
  • Download
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 UTC 2023 , Edited by admin on Sat Dec 16 14:36:49 UTC 2023
PRIMARY
PUBCHEM
156613966
Created by admin on Sat Dec 16 14:36:49 UTC 2023 , Edited by admin on Sat Dec 16 14:36:49 UTC 2023
PRIMARY
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