IUPAC: 1-[(4-Chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine dihydrochloride
The molecular structure of Meclozine dihydrochloride (CAS NO.1104-22-9):
Molecular Formula: C25H29Cl3N2
Molecular Weight: 463.87
EINECS: 214-164-8
LogP: ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.86
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 5.5): 270.77
ACD/BCF (pH 7.4): 3158.05
ACD/KOC (pH 5.5): 915.03
ACD/KOC (pH 7.4): 10672.26
Covalently-Bonded Unit Count: 3
Flash Point: 253.3°C
Storage temp.: 2-8 °C
Enthalpy of Vaporization: 76.28 kJ/mol
Boiling Point: 495.3°C at 760 mmHg
Vapour Pressure: 6E-10 mmHg at 25 °C
The appearance of Meclozine dihydrochloride (CAS NO.1104-22-9): white,slightly yellowish,crystalline powder
Canonical SMILES: CC1=CC(=CC=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl
InChI: InChI=1S/C25H27ClN2.2ClH/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23;;/h2-13,18,25H,14-17,19H2,1H3;2*1H
InChIKey: VCTHNOIYJIXQLV-UHFFFAOYSA-N
Meclozine dihydrochloride (CAS NO.1104-22-9) is used as antiemetic, histamine H1 antagonist and anti-allergic agent.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 625mg/kg (625mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION | Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 43, Pg. 653, 1954. |
mouse | LD50 | oral | 1600mg/kg (1600mg/kg) | "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 67, 1969. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Hazard Codes: Xn
Risk Statements: 22-63
R22:Harmful if swallowed.
R63:Possible risk of harm to the unborn child.
Safety Statements: 22-36
S22:Do not breathe dust.
S36:Wear suitable protective clothing.
WGK Germany: 3
RTECS: TL2005000
Meclozine dihydrochloride (CAS NO.1104-22-9) is also called for 1-p-Chlorbenzhydryl-m-methylbenzylpiperazine dihydrochloride ; Ancolan dihydrochloride ; Antivert ; Bonamine ; Diadril ; Duremesin ; EINECS 214-164-8 ; Meclizine HCl ; Meclizine dihydrochloride ; NSC 28728 ; Parachloramine dihydrochloride ; Postafen ; Postafene dihydrochloride ; Taizer ; UNII-L997QXC9J1 ; V-Cline ; Vertizine and so on. Its classification code are Drug / Therapeutic Agent and Reproductive Effect.
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