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(-)-mefloquine hydrochloride

(-)-mefloquine hydrochloride

CAS: 51773-92-3

Formula: C17H17ClF6N2O

SMILES: Cl[H].[H][C@@]1(CCCCN1)[C@@H](O)C1=CC(=NC2=C(C=CC=C12)C(F)(F)F)C(F)(F)F

IUPAC: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl][(2R)-piperidin-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-;/m0./s1

Composition: C (49.23%), H (4.13%), Cl (8.55%), F (27.48%), N (6.75%), O (3.86%)

Molar Mass: 414.78

Atom Count: 44

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 414.0933599
Formal Charge 0
FSP3 0.47
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey WESWYMRNZNDGBX-YLCXCWDSSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.58
Topological Polar Surface Area 45.15
Polarizability 31.67
Ring Count 3
Rotatable Bond Count 4

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