CAS No.129-71-5,Chlorcyclizine dihydrochloride Suppliers

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Basic Information

Molecular Structure:
CAS No.:	129-71-5
Name:	Chlorcyclizine dihydrochloride

Formula:	C₁₈H₂₃Cl₃N₂
Molecular Weight:	373.78
Synonyms:	Piperazine,1-(p-chloro-a-phenylbenzyl)-4-methyl-,dihydrochloride (8CI);Piperazine, 1-[(4-chlorophenyl)phenylmethyl]-4-methyl-,dihydrochloride (9CI);47-282;AH 289;Chlorcyclazine dihydrochloride;Chlorcyclizine dihydrochloride;Histantine dihydrochloride;N-Methyl-N'-(4-chlorobenzhydryl)piperazine dihydrochloride;Perazil dihydrochloride;
Melting Point:	214-216 °C
Boiling Point:	393.6 °C at 760 mmHg
Flash Point:	191.9 °C
PSA:	6.48000
LogP:	5.15660

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Specification

The Chlorcyclizine dihydrochloride, with the CAS registry number 129-71-5, is also known as 1-(p-Chloro-alpha-phenylbenzyl)-4-methyl-piperazine dihydrochloride. This chemical's molecular formula is C₁₈H₂₃Cl₃N₂ and molecular weight is 373.7476. Its systematic name is called 1-[(4-chlorophenyl)(phenyl)methyl]-4-methylpiperazine dihydrochloride. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties of Chlorcyclizine dihydrochloride: (1)ACD/LogP: 3.00; (2)ACD/LogD (pH 5.5): 0.77; (3)ACD/LogD (pH 7.4): 2.46; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 32.37; (6)ACD/KOC (pH 5.5): 5.97; (7)ACD/KOC (pH 7.4): 294.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Flash Point: 191.9 °C; (11)Enthalpy of Vaporization: 64.35 kJ/mol; (12)Boiling Point: 393.6 °C at 760 mmHg; (13)Vapour Pressure: 2.1E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.Clc1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C
(2)InChI: InChI=1/C18H21ClN2.2ClH/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16;;/h2-10,18H,11-14H2,1H3;2*1H
(3)InChIKey: FLEBQACKYGHXTR-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
cat	LD50	intraperitoneal	75mg/kg (75mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.
dog	LDLo	intraperitoneal	100mg/kg (100mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.
guinea pig	LD50	intraperitoneal	100mg/kg (100mg/kg)	PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.
mouse	LD50	intraperitoneal	137mg/kg (137mg/kg)	BEHAVIORAL: TREMOR BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Journal of Pharmacology and Experimental Therapeutics. Vol. 96, Pg. 388, 1949.
mouse	LD50	intravenous	35mg/kg (35mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.
mouse	LDLo	oral	150mg/kg (150mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.
mouse	LDLo	subcutaneous	150mg/kg (150mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.
rat	LD50	intraperitoneal	100mg/kg (100mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 80, Pg. 378, 1949.