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Efinaconazole 500mg

CAT: 0628-A14067-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A14067-500Size:500 mg
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CAS Number
164650-44-6

Chemical Information

Efinaconazole

Efinaconazole is a member of the class of triazoles that is butan-2-ol which is substituted at positions 1, 2, and 3 by 1,2,4-triazol-1-yl, 2,4-difluorophenyl, and 4-methylenepiperidin-1-yl groups, respectively (the 2R,3R stereoisomer). It is an antifungal drug used for the topical treatment of onychomycosis (a nail infection caused mainly by dermatophytes). It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is a member of piperidines, a tertiary alcohol, an organofluorine compound, a tertiary amino compound, an olefinic compound, a conazole antifungal drug and a triazole antifungal drug.

CAS Number164650-44-6
PubChem CID489181
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-(4-methylidenepiperidin-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
Molecular FormulaC18H22F2N4O
Molecular Weight348.4
XLogP2
Topological Polar Surface Area54.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCC(=C)CC3
InChI
InChI=1S/C18H22F2N4O/c1-13-5-7-23(8-6-13)14(2)18(25,10-24-12-21-11-22-24)16-4-3-15(19)9-17(16)20/h3-4,9,11-12,14,25H,1,5-8,10H2,2H3/t14-,18-/m1/s1
InChIKey
NFEZZTICAUWDHU-RDTXWAMCSA-N
Chemical Structure
2D Structure
2D structure of Efinaconazole
CAS: 164650-44-6
CID: 489181
Formula: C18H22F2N4O
MW: 348.4
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight348.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass348.17616766
Monoisotopic Mass348.17616766
Topological Polar Surface Area54.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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