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Details

Stereochemistry ACHIRAL
Molecular Formula C20H21F3N4O5S
Molecular Weight 486.465
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIHYDRO-6-(SULFOOXY)-1-(2-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)ETHYL)-2H-BENZIMIDAZOL-2-ONE

SMILES

OS(=O)(=O)OC1=CC2=C(NC(=O)N2CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C=C1

InChI

InChIKey=NKNIFHAZIBPTPO-UHFFFAOYSA-N
InChI=1S/C20H21F3N4O5S/c21-20(22,23)14-2-1-3-15(12-14)26-9-6-25(7-10-26)8-11-27-18-13-16(32-33(29,30)31)4-5-17(18)24-19(27)28/h1-5,12-13H,6-11H2,(H,24,28)(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C20H21F3N4O5S
Molecular Weight 486.465
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 14:59:17 UTC 2023
Edited
by admin
on Sat Dec 16 14:59:17 UTC 2023
Record UNII
LC6T8F3LPW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DIHYDRO-6-(SULFOOXY)-1-(2-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)ETHYL)-2H-BENZIMIDAZOL-2-ONE
Systematic Name English
FLIBANSERIN METABOLITE M38
Common Name English
BIML 7 ZW
Common Name English
2H-BENZIMIDAZOL-2-ONE, 1,3-DIHYDRO-6-(SULFOOXY)-1-(2-(4-(3-(TRIFLUOROMETHYL)PHENYL)-1-PIPERAZINYL)ETHYL)-
Systematic Name English
Code System Code Type Description
CAS
1034706-39-2
Created by admin on Sat Dec 16 14:59:17 UTC 2023 , Edited by admin on Sat Dec 16 14:59:17 UTC 2023
PRIMARY
FDA UNII
LC6T8F3LPW
Created by admin on Sat Dec 16 14:59:17 UTC 2023 , Edited by admin on Sat Dec 16 14:59:17 UTC 2023
PRIMARY
PUBCHEM
24825768
Created by admin on Sat Dec 16 14:59:17 UTC 2023 , Edited by admin on Sat Dec 16 14:59:17 UTC 2023
PRIMARY
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