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Flibanserin Hydrochloride

CAT: 0572-TRC-F401270-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F401270-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
147359-76-0
Synonyms
2H-Benzimidazol-2-one, 1,3-dihydro-1-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-, hydrochloride (1:1); 2H-Benzimidazol-2-one, 1,3-dihydro-1-[2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-, monohydrochloride (9CI); Flibanserin hydrochloride
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Cl.FC(F)(F)c1cccc(c1)N2CCN(CCN3C(=O)Nc4ccccc34)CC2
Molecular Formula
C20 H21 F3 N4 O . Cl H
Molecular Weight
426.86
InChI
InChI=1S/C20H21F3N4O.ClH/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);1H
Additionnal Information
IUPAC name: 3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one;hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Flibanserin hydrochloride
CAS Number147359-76-0
PubChem CID9845393
IUPAC Name3-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one;hydrochloride
Molecular FormulaC20H22ClF3N4O
Molecular Weight426.9
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity550
SMILES
C1CN(CCN1CCN2C3=CC=CC=C3NC2=O)C4=CC=CC(=C4)C(F)(F)F.Cl
InChI
InChI=1S/C20H21F3N4O.ClH/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);1H
InChIKey
XGAGFLQFMFCIHZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flibanserin hydrochloride
CAS: 147359-76-0
CID: 9845393
Formula: C20H22ClF3N4O
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass426.1434235
Monoisotopic Mass426.1434235
Topological Polar Surface Area38.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity550
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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