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132-35-4

Basic Information
CAS No.: 132-35-4
Name: 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate
Molecular Structure:
Molecular Structure of 132-35-4 (5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate)
Formula: C17H25N3O•C6H8O7
Molecular Weight: 479.59
Synonyms: 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate;Proxazole citrate
Density: g/cm3
Boiling Point: 407.1°Cat760mmHg
Flash Point: 200°C
Safety: Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition it emits toxic fumes of NOx. A smooth muscle relaxant, analgesic, and anti-inflammatory agent.
PSA: 174.29000
LogP: 2.24730
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  • 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate

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Chemistry

Empirical Formula of Proxazole citrate (CAS NO.132-35-4): C23H33N3O8
Molecular Weight: 479.5234 g/mol
Flash Point: 200 °C
Enthalpy of Vaporization: 65.89 kJ/mol
Boiling Point: 407.1 °C at 760 mmHg
Vapour Pressure: 7.75E-07 mmHg at 25 °C
Structure of Proxazole citrate (CAS NO.132-35-4):
                      
IUPAC Name: N,N-Diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine ; 2-Hydroxypropane-1,2,3-tricarboxylic acid
Canonical SMILES: CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChI: InChI=1S/C17H25N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey: WFAULHLDTDDABL-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:1400 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 13 (1963),798.
2.    

ipr-rat LD50:390 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 13 (1963),798.
3.    

orl-mus LD50:1270 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 13 (1963),798.
4.    

ipr-mus LD50:390 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 13 (1963),798.
5.    

scu-mus LD50:720 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 13 (1963),798.
6.    

ivn-mus LD50:68 mg/kg

    ARZNAD    Arzneimittel-Forschung. Drug Research. 13 (1963),798.

Safety Profile

Poison by intraperitoneal and intravenous routes. Moderately toxic by ingestion and subcutaneous routes. When heated to decomposition Proxazole citrate (CAS NO.132-35-4) emits toxic fumes of NOx. A smooth muscle relaxant, analgesic, and anti-inflammatory agent.

Specification

 Proxazole citrate , its cas register number is 132-35-4. It also can be called Pirecin ; Toness ; and 1,2,4-Oxadiazole-5-ethanamine, N,N-diethyl-3-(1-phenylpropyl)-, citrate .