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General Information
Catalog: BLP-003239
CAS: 1217825-34-7
Molecular Formula: C20H13D3ClF2N5O2
Molecular Weight: 434.84
Chemical Structure
Description Albaconazole-[d3] is a labelled Albaconazole. Albaconazole is a triazole antifungal agent. It shows potent activity against species of Candida, Cryptococcus and Aspergillus.
Synonyms 7-Chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-(methyl-d3)-3-(1H-1,2,4-triazol-1-yl)propyl]-4(3H)-quinazolinone; UR 9825-d3
IUPAC Name 7-chloro-3-[(2R,3R)-1,1,1-trideuterio-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
Related CAS 187949-02-6 (unlabelled)
Canonical SMILES CC(C(CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3C=NC4=C(C3=O)C=CC(=C4)Cl
InChI InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1/i1D3
Melting Point 117-122°C
Solubility Soluble in Chloroform
Appearance Off-white to Light Pink Solid
Storage -20°C

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