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Mefloquine hydrochloride

CAT: 0607-A3593-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A3593-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Quinoline methanol antimalarial agent,
CAS Number
51773-92-3
Product Name Alternative
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
Sequence
Mefloquin hydrochloride
Field of Research
Microbiology & Virology Antimalaria
Purity
0.9986
Form
A solid
Solubility
insoluble in H2O; ≥41.34 mg/mL in DMSO; ≥33.67 mg/mL in EtOH
Smiles
C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl
Molecular Formula
C17H17ClF6N2O
Molecular Weight
414.77
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Mefloquine Hydrochloride

Mefloquine hydrochloride is a hydrochloride.

CAS Number51773-92-3
PubChem CID65329
IUPAC Name(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrochloride
Molecular FormulaC17H17ClF6N2O
Molecular Weight414.8
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity483
SMILES
C1CCN[C@H](C1)[C@H](C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl
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
InChIKey
WESWYMRNZNDGBX-YLCXCWDSSA-N
Chemical Structure
2D Structure
2D structure of Mefloquine Hydrochloride
CAS: 51773-92-3
CID: 65329
Formula: C17H17ClF6N2O
MW: 414.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass414.0933598
Monoisotopic Mass414.0933598
Topological Polar Surface Area45.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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