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Pruvanserin hydrochloride

CAT: 0013-GTR19201310-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201310-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pruvanserin hydrochloride is a potent and selective inverse agonist of the 5-HT2A receptor, demonstrating high affinity in vitro with IC50 values of 0.35 nM (human) and 1 nM (rat) . Its functional activity, shown by inhibiting GTPγS accumulation, supports research in neuropsychiatric disorders such as schizophrenia, Parkinson's disease, and insomnia, with in vivo evidence of efficacy in rodent models of diabetic neuropathic pain.
CAS Number
443144-27-2
Product Name Alternative
LY 2422347 hydrochloride, LY2422347 hydrochloride, EMD281014 hydrochloride, EMD281014 Hydrochloride, EMD-281014 Hydrochloride, EMD 281014 Hydrochloride, EMD 281014 hydrochloride
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.60% (May vary between batches)
Solubility
Ethanol:< 8 mg/mL; DMSO:< 32 mg/mL
Smiles
Cl.N#CC1=CNC2=C1C=CC=C2C (=O) N3CCN (CCC4=CC=C (F) C=C4) CC3
Molecular Formula
C22H22ClFN4O
Molecular Weight
412.89
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pruvanserin hydrochloride
CAS Number443144-27-2
PubChem CID9887933
IUPAC Name7-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]-1H-indole-3-carbonitrile;hydrochloride
Molecular FormulaC22H22ClFN4O
Molecular Weight412.9
Topological Polar Surface Area63.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity589
SMILES
C1CN(CCN1CCC2=CC=C(C=C2)F)C(=O)C3=CC=CC4=C3NC=C4C#N.Cl
InChI
InChI=1S/C22H21FN4O.ClH/c23-18-6-4-16(5-7-18)8-9-26-10-12-27(13-11-26)22(28)20-3-1-2-19-17(14-24)15-25-21(19)20;/h1-7,15,25H,8-13H2;1H
InChIKey
UYGNZRVLPYZLTF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pruvanserin hydrochloride
CAS: 443144-27-2
CID: 9887933
Formula: C22H22ClFN4O
MW: 412.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass412.1466172
Monoisotopic Mass412.1466172
Topological Polar Surface Area63.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity589
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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Alternative Products

CatalogName
TSA14427-01Pruvanserin hydrochloride
HY-103115Pruvanserin (hydrochloride)
255240-01Pruvanserin Hydrochloride (EMD 281014)
166059Pruvanserin Hydrochloride discontinued. See 255240
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