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Flibanserin hydrochloride

CAT: 0013-GTR19186283-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186283-01Size:25 mg
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Description
Flibanserin hydrochloride is an orally active small molecule that functions as a potent 5-HT1A receptor agonist and a 5-HT2A receptor antagonist. It is utilized in preclinical research for studying depression, anxiety, and hypoactive sexual desire disorder (HSDD), with applications in both in vitro receptor binding assays and in vivo behavioral models.
CAS Number
147359-76-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.FC (F) (F) c1cccc (c1) N1CCN (CCn2c3ccccc3[nH]c2=O) CC1
Molecular Formula
C20H22ClF3N4O
Molecular Weight
426.87
Storage Conditions
-20°C
Notes
For research use only.

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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