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56217-89-1

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Basic Information
CAS No.: 56217-89-1
Name: NIFURPIPONE HYDROCHLORIDE
Molecular Structure:
Molecular Structure of 56217-89-1 (NIFURPIPONE HYDROCHLORIDE )
Formula: C12H17N5O4•ClH
Molecular Weight: 331.80
Density: 1.41g/cm3
Boiling Point: °Cat760mmHg
Flash Point: °C
Safety: Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition it emits toxic fumes of NOx and HCl.
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    NIFURPIPONE HYDROCHLORIDE

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Chemistry

Empirical Formula of Nifurpipone hydrochloride (CAS NO.56217-89-1): C12H18ClN5O4
Molecular Weight: 331.7554 
Flash Point: 234.4 °C
Enthalpy of Vaporization: 73.91 kJ/mol
Boiling Point: 463.9 °C at 760 mmHg
Vapour Pressure: 5.26E-09 mmHg at 25 °C
Structure of Nifurpipone hydrochloride (CAS NO.56217-89-1):
                        
IUPAC Name: 2-(4-Methylpiperazin-1-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino] acetamide hydrochloride
Canonical SMILES: CN1CCN(CC1)CC(=O)NN=CC2=CC=C(O2)[N+](=O)[O-].Cl
Isomeric SMILES: CN1CCN(CC1)CC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-].Cl
InChI: InChI=1S/C12H17N5O4.ClH/c1-15-4-6-16(7-5-15)9-11(18)14-13-8-10-2-3-12(21-10)17(19)20;/h2-3,8H,4-7,9H2,1H3,(H,14,18);1H/b13-8+;
InChIKey: ABYNNLAVLMJPST-FNXZNAJJSA-N

Toxicity Data With Reference

1.    

ivn-rat LD50:140 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 114 (1975),73.
2.    

orl-mus LD50:594 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 114 (1975),73.
3.    

ivn-mus LD50:300 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 114 (1975),73.
4.    

ivn-mky LD50:240 mg/kg

     BCFAAI    Bollettino Chimico Farmaceutico. 114 (1975),73.

Safety Profile

Poison by intravenous route. Moderately toxic by ingestion. When heated to decomposition Nifurpipone hydrochloride (CAS NO.56217-89-1) emits toxic fumes of NOx and HCl.

Specification

 Nifurpipone hydrochloride , its cas register number is 56217-89-1. It also can be called 4-Methyl-1-piperazineacetic acid (5-nitrofurfurylidene)hydrazide hydrochloride ; 1-Piperazineacetic acid, 4-methyl-, (5-nitrofurfurylidene)hydrazide, monohydrochloride ; and Nifurpipone HCl .