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Basic Information
CAS No.: 4337-86-4
Name: 3-(2-chloro-5,5-dioxido-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine
Molecular Structure:
Molecular Structure of 4337-86-4 (3-(2-chloro-5,5-dioxido-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine)
Formula: C17H19ClN2O2S
Molecular Weight: 350.89
Density: 1.299g/cm3
Boiling Point: 519°Cat760mmHg
Flash Point: 267.7°C
Hazard Symbols: A poison.
Safety: A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.
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Chemistry

Product Name: Oxochlorpromazine (CAS NO.4337-86-4)


Molecular Formula: C17H19ClN2O2S
Molecular Weight: 350.89g/mol
Mol File: 4337-86-4.mol
Boiling point: 519 °C at 760 mmHg
Flash Point: 267.7 °C
Density: 1.299 g/cm3
Surface Tension: 48.9 dyne/cm
Enthalpy of Vaporization: 79.17 kJ/mol
Vapour Pressure: 7.09E-11 mmHg at 25°C
XLogP3-AA: 3.9
H-Bond Donor: 0
H-Bond Acceptor: 4
Structure Descriptors of Oxochlorpromazine (CAS NO.4337-86-4):
  IUPAC Name: 3-(2-chloro-5,5-dioxophenothiazin-10-yl)-N,N-dimethylpropan-1-amine
  Canonical SMILES: CN(C)CCCN1C2=CC=CC=C2S(=O)(=O)C3=C1C=C(C=C3)Cl
  InChI: InChI=1S/C17H19ClN2O2S/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)23(21,22)17-9-8-13(18)12-15(17)20/h3-4,6-9,12H,5,10-11H2,1-2H3 
  InChIKey: QBZBVQGQXSKQPX-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 30mg/kg (30mg/kg)   Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 53, Pg. 71S, 1957.

Safety Profile

A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx, SOx, and Cl−.

Specification

 Oxochlorpromazine , its CAS NO. is 4337-86-4, the synonyms are 2-Chloro-10-(3-(dimethylamino)propyl)phenothiazine 5,5-dioxide ; 4-27-00-01312 (Beilstein Handbook Reference) ; BRN 0302284 ; Chlorpromazine sulfone  ; 10H-Phenothiazine-10-propanamine, 2-chloro-N,N-dimethyl-, 5,5-dioxide (9CI) ; Phenothiazine, 2-chloro-10-(3-(dimethylamino)propyl)-, 5,5-dioxide .