YMZ

(11R,12S)- Mefloquine

Created:	2017-01-30
Last modified:	2024-11-05

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	2
Bond Count	44
Aromatic Bond Count	11

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Chemical Component Summary
Name	(11R,12S)- Mefloquine
Systematic Name (OpenEye OEToolkits)	(~{R})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol
Formula	C₁₇ H₁₆ F₆ N₂ O
Molecular Weight	378.312
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)C(C3CCCCN3)O
Canonical SMILES	CACTVS	3.385	O[C@@H]([C@@H]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc(nc2c(c1)C(F)(F)F)C(F)(F)F)[C@H]([C@@H]3CCCCN3)O
InChI	InChI	1.03	InChI=1S/C17H16F6N2O/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/t12-,15+/m0/s1
InChIKey	InChI	1.03	XEEQGYMUWCZPDN-SWLSCSKDSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB05636
Name	(+)-Mefloquine
Groups	investigational
Description	(+)-Mefloquine was under investigation in clinical trial NCT00931697 (Study to Investigate the Safety, Tolerability and Pharmacokinetics of AD 452 [(+)-Mefloquine] Compared With Racemic Mefloquine) to compare the efficacy of (+) Mefloquine vs. racemic [Mefloquine].
Synonyms	(+)-Mefloquine (+)-(11R,2'S)-erythro-mefloquine (+)-mefloquine [(11R,2'S)-2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol
Indication	Investigated for use/treatment in rheumatoid arthritis.
CAS number	51688-68-7