Mefloquine

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Systematic / IUPAC Name: (S)-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol

ID: Reference2275

Other Names: (-)-Mefloquine;
4-Quinolinemethanol, α-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (αS)-

Formula: C17H16F6N2O

Class: Therapeutics/Prescription Drugs

Spectral Data

Mefloquine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 45
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/17/2015 9:13:21 AM
View Mass Spec Data > >

Identificators

InChI 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+/m1/s1
InChI Key XEEQGYMUWCZPDN-DOMZBBRYSA-N
Canonical SMILES C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
CAS
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Other Names (-)-Mefloquine;
4-Quinolinemethanol, α-(2R)-2-piperidinyl-2,8-bis(trifluoromethyl)-, (αS)-

In Other Databases

KEGG C07633; D04895
ChemIDPlus 053230107; 051742871
ChEBI CHEBI:63687
ChEMBL CHEMBL172
PubChem 40692
Wikipedia Mefloquine
ChemSpider 37171