Product Name

  • Name

    Loxapine hydrochloride

  • EINECS
  • CAS No. 54810-23-0
  • Density
  • Solubility
  • Melting Point 109-110oC
  • Formula C18H18 Cl N3 O . Cl H
  • Boiling Point 458.6°C at 760 mmHg
  • Molecular Weight 364.27
  • Flash Point 231.1°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 54810-23-0 (Loxapine hydrochloride)
  • Hazard Symbols
  • Synonyms Dibenz[b,f][1,4]oxazepine,2-chloro-11-(4-methyl-1-piperazinyl)-, monohydrochloride (9CI);Loxapinehydrochloride;
  • PSA 28.07000
  • LogP 3.88480

Loxapine hydrochloride Specification

The Loxapine hydrochloride, with the CAS registry number 54810-23-0, is also known as Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-, monohydrochloride.It belongs to the product organic matters.This chemical's molecular formula is C18H19Cl2N3O and molecular weight is 364.26. What's more, Its systematic name is 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]oxazepine hydrochloride (1:1).

Physical properties about Loxapine hydrochloride are: (1)ACD/LogP:  2.737; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.12; (4)ACD/LogD (pH 7.4):  2.56; (5)ACD/BCF (pH 5.5):  1.71; (6)ACD/BCF (pH 7.4):  46.67; (7)ACD/KOC (pH 5.5):  17.77; (8)ACD/KOC (pH 7.4):  483.97; (9)#H bond acceptors:  4; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  1; (12)Flash Point:  231.1 °C; (13)Enthalpy of Vaporization:  71.89 kJ/mol ; (14)Boiling Point:  458.6 °C at 760 mmHg; (15)Vapour Pressure:  1.36E-08 mmHg at 25°C;

You can still convert the following datas into molecular structure:
(1)SMILES:Cl.Clc2ccc1Oc4c(/N=C(\c1c2)N3CCN(C)CC3)cccc4;
(2)Std. InChI:InChI=1S/C18H18ClN3O.ClH/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18;/h2-7,12H,8-11H2,1H3;1H;
(3)Std. InChIKey:JSXBVMKACNEMKY-UHFFFAOYSA-N;

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