Products Categories
CAS No.: | 51773-92-3 |
---|---|
Name: | Mefloquine hydrochloride |
Article Data: | 1 |
Molecular Structure: | |
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 |
What can I do for you?
Get Best Price
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. |