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Mefloquine

CAT: 0127-BUP03922-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03922-02Size:10 mg
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CAS Number
53230-10-7
Synonyms
Ro215998, WR 142490, Lariam, Ro 215998, Ro-215998
Purity
=98%
Smiles
C(F)(F)(F)C=1C2=C(C([C@H](O)[C@]3(CCCCN3)[H])=CC(C(F)(F)F)=N2)C=CC1

Chemical Information

Mefloquine

[2,8-bis(trifluoromethyl)quinolin-4-yl]-(2-piperidyl)methanol is an organofluorine compound that consists of quinoline bearing trifluoromethyl substituents at positions 2 and 8 as well as a (2-piperidinyl)hydroxymethyl substituent at position 4. It is a member of piperidines, a member of quinolines, a secondary alcohol and an organofluorine compound.

CAS Number53230-10-7
PubChem CID4046
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol
Molecular FormulaC17H16F6N2O
Molecular Weight378.31
XLogP3.6
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity483
SMILES
C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O
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
InChIKey
XEEQGYMUWCZPDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mefloquine
CAS: 53230-10-7
CID: 4046
Formula: C17H16F6N2O
MW: 378.31
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.31
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass378.11668211
Monoisotopic Mass378.11668211
Topological Polar Surface Area45.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T0860L-01Mefloquine
445999-01Dehydro Mefloquine
MBS385543-01Mefloquine HCl
318178Mefloquine Hydrochloride
HY-17437A-01Mefloquine (hydrochloride)

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