CAS No.51773-92-3,Mefloquine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	51773-92-3
Name:	Mefloquine hydrochloride
Article Data:	1

Formula:	C₁₇H₁₆F₆N₂O^.HCl
Molecular Weight:	414.778
Synonyms:	4-Quinolinemethanol,a-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-,monohydrochloride, (aS)-rel- (9CI);4-Quinolinemethanol, a-2-piperidinyl-2,8-bis(trifluoromethyl)-,monohydrochloride, (R,S)-(?à)-;4-Quinolinemethanol, a-2-piperidinyl-2,8-bis(trifluoromethyl)-, monohydrochloride, (R,S)-;Loriam;Mefloquin hydrochloride;NSC 157387;Ro21-5998/001;
EINECS:	257-412-0
Density:	1.383g/cm3
Melting Point:	250-254oC
Boiling Point:	415.7oC at 760mmHg
Flash Point:	205.2oC
Solubility:	DMSO: 38 mg/mL
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	22
PSA:	45.15000
LogP:	5.57870

Raw Materials

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Specification

The IUPAC name of Mefloquine hydrochloride is [2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol hydrochloride. With the CAS registry number 51773-92-3, it is also named as DL-erythro-alpha-2-Piperidyl-2,8-bis(trifluoromethyl)-4-quinolinemethanol monohydrochloride. The classification codes are Antimalarial; Drug / Therapeutic Agent; Human Data. The other registry number is 68682-28-0. It is white solid which is harmful if swallowed.

The other characteristics of this product can be summarized as: (1)H-Bond Donor: 3; (2)H-Bond Acceptor: 9; (3)Rotatable Bond Count: 2; (4)Exact Mass: 414.09336; (5)MonoIsotopic Mass: 414.09336; (6)Topological Polar Surface Area: 45.2; (7)Heavy Atom Count: 27; (8)Formal Charge: 0; (9)Complexity: 483; (10)Isotope Atom Count: 0; (11)Undefined Atom StereoCenter Count: 2; (12)Covalently-Bonded Unit: Count 2.

Preparation of Mefloquine hydrochloride: It can be obtained by (2,8-bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanone. This reaction needs reagents H₂, HCl, catalytic agent PtO₂ and solvent methanol, ethanol. The reaction time is 5.5 hours. The yield is 80%.

Uses of Mefloquine hydrochloride: It is a phospholipid-interacting antimalarial drug (antimalarials). And it is very effective against plasmodium falciparum with very few side effects.

People can use the following data to convert to the molecule structure.
1. Smiles: c12c(c(cc(n2)C(F)(F)F)[C@@H]([C@H]2CCCCN2)O)cccc1C(F)(F)F.Cl
2. InChI: InChI=1/C17H16F6N2O.ClH/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;/h3-5,8,12,15,24,26H,1-2,6-7H2;1H/t12-,15+;/m1./s1

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	11mg/kg/2W-I (11mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Annals of Internal Medicine. Vol. 114, Pg. 994, 1991.
man	TDLo	oral	18mg/kg/5W-I (18mg/kg)	PERIPHERAL NERVE AND SENSATION: PARESTHESIS BEHAVIORAL: GENERAL ANESTHETIC	Annals of Internal Medicine. Vol. 117, Pg. 1058, 1992.
man	TDLo	oral	96mg/kg/52D-I (96mg/kg)	BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: EXCITEMENT BEHAVIORAL: AGGRESSION	Archives of Internal Medicine. Vol. 154, Pg. 2360, 1994.
rat	LD50	intraperitoneal	130mg/kg (130mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	Acta Tropica. Vol. 37, Pg. 232, 1980.
rat	LD50	oral	880mg/kg (880mg/kg)	GASTROINTESTINAL: NAUSEA OR VOMITING	Acta Tropica. Vol. 37, Pg. 232, 1980.
women	TDLo	oral	15mg/kg/3W-I (15mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: COMA	Medical Journal of Australia. Vol. 161, Pg. 453, 1994.