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Cyclizine hydrochloride

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Name

Cyclizine hydrochloride

EINECS 206-136-9
CAS No. 303-25-3 Density 1.0551 (rough estimate)
PSA 6.48000 LogP 3.70120
Solubility N/A Melting Point 258-260 °C
Formula C18H23ClN2 Boiling Point 363.7 °C at 760 mmHg
Molecular Weight 302.847 Flash Point 159.1 °C
Transport Information UN 3249 Appearance Off-white solid
Safety 53-22-36/37/39-45 Risk Codes 61-23/24/25-42/43
Molecular Structure Molecular Structure of 303-25-3 (CYCLIZINE HYDROCHLORIDE (200  MG)) Hazard Symbols T
Synonyms

Piperazine,1-(diphenylmethyl)-4-methyl-, monohydrochloride (8CI,9CI);Marezine hydrochloride;Marzine;N-Benzhydryl-N'-methylpiperazine monohydrochloride;

 

Cyclizine hydrochloride Synthetic route

82-92-8

N-benzhydryl-N'-methylpiperazine

303-25-3

cyclizine hydrochloride

Conditions
ConditionsYield
With hydrogenchloride In methanol; water at 45 - 55℃; for 2h;90.5%

Cyclizine hydrochloride Specification

The Cyclizine hydrochloride, with the CAS registry number 303-25-3, is also known as 1-(Diphenylmethyl)-4-methylpiperazine monohydrochloride. Its EINECS registry number is 206-136-9. This chemical's molecular formula is C18H23ClN2 and molecular weight is 302.84162. Its IUPAC name is called 1-benzhydryl-4-methylpiperazine hydrochloride. This chemical's classification codes are Anti-emetic; Drug / Therapeutic Agent; Reproductive Effect.

Physical properties of Cyclizine hydrochloride: (1)ACD/LogP: 2.41; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 10.29; (6)ACD/KOC (pH 5.5): 2.5; (7)ACD/KOC (pH 7.4): 125.76; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Flash Point: 159.1 °C; (11)Enthalpy of Vaporization: 60.98 kJ/mol; (12)Boiling Point: 363.7 °C at 760 mmHg; (13)Vapour Pressure: 1.77E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl
(2)InChI: InChI=1S/C18H22N2.ClH/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18H,12-15H2,1H3;1H
(3)InChIKey: UKPBEPCQTDRZSE-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 58mg/kg (58mg/kg)   Pharmacology: International Journal of Experimental and Clinical Pharmacology. Vol. 13, Pg. 241, 1975.
mouse LD50 oral 165mg/kg (165mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Journal of Pharmacology and Experimental Therapeutics. Vol. 112, Pg. 297, 1954.
pigeon LD50 intramuscular 106mg/kg (106mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 46, Pg. 140, 1957.

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