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CAS No.: | 303-25-3 |
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Name: | CYCLIZINE HYDROCHLORIDE (200 MG) |
Molecular Structure: | |
Formula: | C18H23ClN2 |
Molecular Weight: | 302.847 |
Synonyms: | Piperazine,1-(diphenylmethyl)-4-methyl-, monohydrochloride (8CI,9CI);Marezine hydrochloride;Marzine;N-Benzhydryl-N'-methylpiperazine monohydrochloride; |
EINECS: | 206-136-9 |
Density: | 1.0551 (rough estimate) |
Melting Point: | 258-260 °C |
Boiling Point: | 363.7 °C at 760 mmHg |
Flash Point: | 159.1 °C |
Appearance: | Off-white solid |
Hazard Symbols: | T |
Risk Codes: | 61-23/24/25-42/43 |
Safety: | 53-22-36/37/39-45 |
Transport Information: | UN 3249 |
PSA: | 6.48000 |
LogP: | 3.70120 |
Conditions | Yield |
---|---|
With hydrogenchloride In methanol; water at 45 - 55℃; for 2h; | 90.5% |
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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. |