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24342-55-0

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Basic Information
CAS No.: 24342-55-0
Name: Homochlorocyclizine hydrochloride
Molecular Structure:
Molecular Structure of 24342-55-0 (Homochlorocyclizine hydrochloride)
Formula: C19H23 Cl N2 . x Cl H
Molecular Weight: 570.11
Synonyms: 1H-1,4-Diazepine,1-(p-chloro-a-phenylbenzyl)hexahydro-4-methyl-,hydrochloride (7CI,8CI); 1H-1,4-Diazepine,1-[(4-chlorophenyl)phenylmethyl]hexahydro-4-methyl-, hydrochloride (9CI);Homochlorcyclizine hydrochloride; Homochlorocyclizine hydrochloride
Boiling Point: 403.9°C at 760 mmHg
Flash Point: 198.1°C
Hazard Symbols: 3
Safety: Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
PSA: 6.48000
LogP: 4.74470
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Chemistry

Product Name: Homochlorcyclizine hydrochloride (CAS NO.24342-55-0)


Molecular Formula: C19H24Cl2N2
Molecular Weight: 351.3133g/mol
Mol File: 24342-55-0.mol
Boiling point: 403.9 °C at 760 mmHg
Storage Temperature:
Flash Point: 198.1 °C
Enthalpy of Vaporization: 65.53 kJ/mol
Vapour Pressure: 9.82E-07 mmHg at 25°C
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Homochlorcyclizine hydrochloride (CAS NO.24342-55-0):
  IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepan-4-ium chloride
  Canonical SMILES: C[NH+]1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.[Cl-]
  InChI: InChI=1S/C19H23ClN2.ClH/c1-21-12-5-13-22(15-14-21)19(16-6-3-2-4-7-16)17-8-10-18(20)11-9-17;/h2-4,6-11,19H,5,12-15H2,1H3;1H 
  InChIKey: BDIJPBVLZALCFW-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 intravenous 20mg/kg (20mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
dog LD50 oral > 200mg/kg (200mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
mouse LD50 intravenous 47mg/kg (47mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
mouse LD50 oral 390mg/kg (390mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
mouse LD50 subcutaneous 135mg/kg (135mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
rabbit LD50 intravenous 20mg/kg (20mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
rat LD50 intravenous 36mg/kg (36mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.
rat LD50 oral 490mg/kg (490mg/kg)   Drugs in Japan Vol. 6, Pg. 790, 1982.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.

Specification

 Homochlorcyclizine hydrochloride , its CAS NO. is 24342-55-0, the synonyms are 1-(p-Chloro-alpha-phenylbenzyl)hexahydro-4-methyl-1H-1,4-diazepine hydrochloride ; Homochlorcyclizine HCl ; 1H-1,4-Diazepine, 1-((4-chlorophenyl)phenylmethyl)hexahydro-4-methyl-, hydrochloride (9CI) ; 1H-1,4-Diazepine, 1-(p-chloro-alpha-phenylbenzyl)hexahydro-
4-methyl-, hydrochloride .