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Perphenazine dihydrochloride

CAT: 1410-M35697-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Perphenazine dihydrochloride is an orally active dopamine receptor and histamine-1 receptor antagonist that acts on D2 (Ki: 0.56 nM), D3 (Ki: 0.43 nM), and 5-HT2A (Ki: 0.6 nM) receptors, and also binds Alpha-1A adrenergic receptors. It can induce apoptosis, inhibit cancer cell proliferation, and is used to study psychiatric disorders, cancer, and inflammation.
CAS Number
2015-28-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
476.89
Molecular Formula
C21H28Cl3N3OS
Notes
Research use only, not for human use.
Receptor
Dopamine Receptor | 5-HT Receptor | Apoptosis | Histamine Receptor

Chemical Information

Perphenazine dihydrochloride
CAS Number2015-28-3
PubChem CID74835
IUPAC Name2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol;dihydrochloride
Molecular FormulaC21H28Cl3N3OS
Molecular Weight476.9
Topological Polar Surface Area55.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity463
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl.Cl
InChI
InChI=1S/C21H26ClN3OS.2ClH/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;;/h1-2,4-7,16,26H,3,8-15H2;2*1H
InChIKey
JGTYANSBOIVAMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perphenazine dihydrochloride
CAS: 2015-28-3
CID: 74835
Formula: C21H28Cl3N3OS
MW: 476.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass475.101867
Monoisotopic Mass475.101867
Topological Polar Surface Area55.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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