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| CAS No.: | 167933-07-5 |
|---|---|
| Name: | Flibanserin |
| Article Data: | 15 |
| Molecular Structure: | |
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| 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 |
| Appearance: | white powder |
| Hazard Symbols: | T |
| Risk Codes: | 25-36/37/38 |
| Safety: | 26-45 |
| 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 .