Mefloquine Hydrochloride
Basic information
- CAS
51742-86-0- Standard SMILES
Cl.O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCCN1- InChIKey
WESWYMRNZNDGBX-YLCXCWDSSA-N- Molecular formula
- C17H17ClF6N2O
- Average molar mass
- 414.8 g/mol
- Monoisotopic mass
- 414.0933598
Overview
Mefloquine hydrochloride is a hydrochloride.
Names & identifiers
- Preferred name
- Mefloquine Hydrochloride
- IUPAC
- (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
Names & synonyms
Mefloquine hydrochloride51773-92-3MephaquinMefloquine HCLLoriamRo 21-5998/001DTXSID10478195Y9L3636O3NSC-157387Ro-21-5998/001DTXCID301473958Ro-215998001
Show more names
WR-142490Ro-21-5998Mefloquini hydrochloridumRefChem:56343257-412-0(S)-(2,8-bis(trifluoromethyl)quinolin-4-yl)-((2R)-piperidin-2-yl)methanolNSC157387Mefloquine HCI
Database identifiers
- CAS
51742-86-0、51773-92-3- PubChem CID
- 65329
- DTXSID
DTXSID1047819- ChEMBL
CHEMBL1606、CHEMBL535650- ChEBI
CHEBI:6719- UNII
- 326VC85GV6、5Y9L3636O3
- EC Number
- 257-412-0
Properties
Computed structural properties
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Solubility>62.2 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 1.1% (1 of 95) of reports.
Warning
H302 (98.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 95 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (98.9%)
Toxicology
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Mefloquine hydrochloride
vLess-DILI-concern
7
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
Chemistry & industry
Pharmacology
FDA Pharmacological Classification
MEFLOQUINE HYDROCHLORIDE
Antimalarial [EPC]
MeSH Pharmacological ClassificationAgents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
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Compound notes
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