Itraconazole Impurity 52

cas: 84499-45-6 — see every product listed under this CAS number, including other names

Itraconazole Impurity 52 (CAS 84499-45-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I222052
cas84499-45-6
sizeon request
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Structural formula: {0} (CAS {1})

[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methanol (CAS 84499-45-6) is a chemical compound with the molecular formula C13H13Cl2N3O3 and a molecular weight of 330.16 g/mol. IUPAC name: [(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methanol. InChIKey: SROVJWXKOIHEMR-GWCFXTLKSA-N.

Identity
Molecular formulaC13H13Cl2N3O3
Molecular weight330.16 g/mol
IUPAC name[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
InChIKeySROVJWXKOIHEMR-GWCFXTLKSA-N
SMILESC1[C@@H](O[C@@](O1)(CN2C=NN=C2)C3=C(C=C(C=C3)Cl)Cl)CO

Computed by PubChem (NCBI)

Synonyms: Itraconazole Impurity 52
Isomers (same molecular formula)
[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol C13H13Cl2N3O3
3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide C13H13Cl2N3O3
[(2S,4R)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methanol C13H13Cl2N3O3
5,5-dideuterio-3-(3,5-dichloro-2,4,6-trideuteriophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide C13H13Cl2N3O3

Also listed as

cis-2-(2,4-Dichlorophenyl)-2-(4H-1,2,4-triazol-4-ylmethyl)-1,3-dioxolane-4-methanol TRC CAS 84499-45-6