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164650-45-7

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164650-45-7 Structure

164650-45-7 Structure
IdentificationBack Directory
[Name]

S,S-Efinaconazole
[CAS]

164650-45-7
[Synonyms]

ent-Efinaconazole
S,S-Efinaconazole
"(2S,3S)-Efinaconazole"
Efinaconazole Enantiomer
Efinaconazole Impurity 19
Efinaconazole Impurity 38
Efinaconazole (2s,3s) Isomer
Efinaconazole Related Impurity 3
(2S,3S)-2-(2,4-difluorophenyl)-3-(4-methylenepiperidin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
1-Piperidineethanol, α-(2,4-difluorophenyl)-β-methyl-4-methylene-α-(1H-1,2,4-triazol-1-ylmethyl)-, (αS,βS)-
(alphaS,betaS)-alpha-(2,4-Difluorophenyl)-beta-methyl-4-methylene-alpha-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidineethanol
[Molecular Formula]

C18H22F2N4O
[MOL File]

164650-45-7.mol
[Molecular Weight]

348.39
Chemical PropertiesBack Directory
[Boiling point ]

512.2±60.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[pka]

12.11±0.29(Predicted)
[InChI]

InChI=1/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-/s3
[InChIKey]

NFEZZTICAUWDHU-GKGMEZMPNA-N
[SMILES]

N1([C@@H](C)[C@](C2=CC=C(F)C=C2F)(CN2C=NC=N2)O)CCC(=C)CC1 |&1:1,3,r|
Hazard InformationBack Directory
[Uses]

ent-Efinaconazole is the S,S-enantiomer of Efinaconazole (E435070); a topical antifungal for onychomycosis.
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