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Perphenazine

CAT: 0127-OR1030089-03Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030089-03Size:100 g
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CAS Number
58-39-9
Synonyms
2-[4-[3- (2-chlorophenothiazin-10-yl) propyl]piperazin-1-yl]ethanol
Purity
97%
Smiles
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO

Chemical Information

Perphenazine

Perphenazine is a phenothiazine derivative in which the phenothiazine tricycle carries a chloro substituent at the 2-position and a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at N-10. It has a role as a phenothiazine antipsychotic drug, a dopaminergic antagonist and an antiemetic. It is an organochlorine compound, a member of phenothiazines, a N-alkylpiperazine and a N-(2-hydroxyethyl)piperazine. It derives from a hydride of a 10H-phenothiazine.

CAS Number58-39-9
PubChem CID4748
IUPAC Name2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethanol
Molecular FormulaC21H26ClN3OS
Molecular Weight404.0
XLogP4.2
Topological Polar Surface Area55.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity463
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO
InChI
InChI=1S/C21H26ClN3OS/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
InChIKey
RGCVKNLCSQQDEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Perphenazine
CAS: 58-39-9
CID: 4748
Formula: C21H26ClN3OS
MW: 404.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight404.0
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass403.1485113
Monoisotopic Mass403.1485113
Topological Polar Surface Area55.3 Ų
Heavy Atom Count27
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B6157-25000Perphenazine

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