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