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2448-68-2

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Basic Information
CAS No.: 2448-68-2
Name: 1'-[4-(4-fluorophenyl)-4-oxobutyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride
Molecular Structure:
Molecular Structure of 2448-68-2 (1'-[4-(4-fluorophenyl)-4-oxobutyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride)
Formula: C21H30 F N3 O2 . 2 Cl H
Molecular Weight: 448.46
Synonyms: [1,4'-Bipiperidine]-4'-carboxamide,1'-[3-(p-fluorobenzoyl)propyl]-, dihydrochloride (7CI,8CI);[1,4'-Bipiperidine]-4'-carboxamide, 1'-[4-(4-fluorophenyl)-4-oxobutyl]-,dihydrochloride (9CI); Pipamperone dichlorhydrate; Pipamperone dihydrochloride;Pipamperone hydrochloride; Piperonil; Propitan
Density: g/cm3
Melting Point: 203-218°C
Boiling Point: 563.7°Cat760mmHg
Flash Point: 294.7°C
Hazard Symbols:
Risk Codes: 22
Safety: Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−, NOx, and HCl.
PSA: 66.64000
LogP: 4.77450
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Chemistry

Product Name: Pipamperone dihydrochloride (CAS NO.2448-68-2)


Molecular Formula: C21H30FN3O2•2ClH
Molecular Weight: 448.46g/mol
Mol File: 2448-68-2.mol
Einecs: 219-507-5
Boiling point: 563.7 °C at 760 mmHg
Flash Point: 294.7 °C
Enthalpy of Vaporization: 84.71 kJ/mol
Vapour Pressure: 9.88E-13 mmHg at 25°C
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of Pipamperone dihydrochloride (CAS NO.2448-68-2):
  IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide dihydrochloride
  Canonical SMILES: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.Cl.Cl
  InChI: InChI=1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H 
  InChIKey: BMXXSXQVMCXGJM-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 71mg/kg (71mg/kg)   Drugs in Japan Vol. 6, Pg. 631, 1982.
mouse LD50 oral 910mg/kg (910mg/kg)   Drugs in Japan Vol. 6, Pg. 631, 1982.
mouse LD50 subcutaneous 312mg/kg (312mg/kg)   Drugs in Japan Vol. 6, Pg. 631, 1982.
rat LD50 oral 1120mg/kg (1120mg/kg)   Drugs in Japan Vol. 6, Pg. 631, 1982.
rat LD50 subcutaneous 400mg/kg (400mg/kg)   Drugs in Japan Vol. 6, Pg. 631, 1982.

Safety Profile

Poison by subcutaneous and intravenous routes. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of F−, NOx, and HCl.
Safety Information of Pipamperone dihydrochloride (CAS NO.2448-68-2):
Hazard Codes: XnHarmful
Risk Statements: 22 
22:  Harmful if swallowed 

Specification

 Pipamperone dihydrochloride ,its CAS NO. is 2448-68-2,the synonyms is Pipamperone HCl ; Pipamperone hydrochloride ; Propitan ; (1,4'-Bipiperidine)-4'-carboxamide, 1'-(3-(p-fluorobenzoyl)propyl)-, dihydrochloride ; 1'-(4-(4-Fluorophenyl)-4-oxobutyl)(1,4'-bipiperidine)-4'-carboxamide dihydrochloride .