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Mefloquine

CAS No.:
1217653-15-0
Catalog Number:
AG009FF5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG009FF5
Chemical Name:
Mefloquine
CAS Number:
1217653-15-0
IUPAC Name:
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-2,3,3,4,4,5,5,6,6-nonadeuteriopiperidin-2-yl]methanol;hydrochloride
InChI:
InChI=1S/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/i1D2,2D2,6D2,7D2,12D;
InChI Key:
WESWYMRNZNDGBX-NELCMFCPSA-N
Properties
Complexity:
483  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
423.15g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
9  
Molecular Weight:
423.831g/mol
Monoisotopic Mass:
423.15g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties