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Efinaconazole-[13C,d6]

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Efinaconazole-[13C,d6]

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General Information
Catalog: BLP-005280
Molecular Formula: C17[13C]H16D6F2N4O
Molecular Weight: 355.43

Chemical Structure

Description	Efinaconazole-[13C,d6], is the labelled analogue of Efinaconazole. Efinaconazole is a triazole antifungal.
Synonyms	Efinaconazole 13CD6
IUPAC Name	(2R,3R)-2-(2,4-difluorophenyl)-3-[3,3,5,5-tetradeuterio-4-(dideuterio(1-13C)methylidene)piperidin-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
Related CAS	164650-44-6 (unlabelled)
Canonical SMILES	CC(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/i1+1D2,5D2,6D2
InChI Key	NFEZZTICAUWDHU-FHFSEWJBSA-N
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C