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167933-07-5

Basic Information
CAS No.: 167933-07-5
Name: Flibanserin
Article Data: 15
Cas Database
Molecular Structure:
Molecular Structure of 167933-07-5 (Flibanserin)
Formula: C20H21F3N4O
Molecular Weight: 390.408
Synonyms: 1-(2-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)ethyl)benzimidazol(1H)-2-one;Bimt 17;1,3-Dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2H-benzimidazol-2-one;1-(2-(4-alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)ethyl)-2-benzimidazolinone;Bimt-17;
EINECS: 643-002-2
Density: 1.292 g/cm3
Melting Point: N/A
Boiling Point: N/A
Flash Point: N/A
Solubility: N/A
Appearance: white powder
Hazard Symbols: T
Risk Codes: 25-36/37/38
Safety: 26-45
Transport Information: N/A
PSA: 44.27000
LogP: 3.17350
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Chemistry

Product Name: Flibanserin (CAS NO.167933-07-5)

Molecular Formula: C20H21F3N4O
Molecular Weight: 390.4g/mol
Mol File: 167933-07-5.mol
Density: 1.292 g/cm3
Surface Tension: 42.6 dyne/cm
XLogP3-AA: 3.3
H-Bond Donor: 1
H-Bond Acceptor: 6
Structure Descriptors of Flibanserin (CAS NO.167933-07-5):
  IUPAC Name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
  Canonical SMILES: C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F
  InChI: InChI=1S/C20H21F3N4O/c21-20(22,23)15-4-3-5-16(14-15)26-11-8-25(9-12-26)10-13-27-18-7-2-1-6-17(18)24-19(27)28/h1-7,14H,8-13H2,(H,24,28) 
  InChIKey: PPRRDFIXUUSXRA-UHFFFAOYSA-N
Classification Code: Antidepressant [5-HT1a agonist and 5-HT2 antagonist]

Specification

 Flibanserin , its CAS NO. is 167933-07-5, the synonyms are 1,3-Dihydro-1-(2-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)ethyl)-2H-benzimidazol-2-one ; 1-(2-(4-(3-Trifluoromethylphenyl)piperazin-1-yl)ethyl)benzimidazol(1H)-2-one ; 1-(2-(4-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)ethyl)-2-benzimidazolinone ; 1-(2-(4-alpha,alpha,alpha-Trifluoro-m-tolyl)-1-piperazinyl)ethyl)-2-benzimidazolinone ; Bimt-17 ; UNII-37JK4STR6Z .