Isavuconazole Impurity 31

cas: 2761502-58-1 — see every product listed under this CAS number, including other names

Isavuconazole Impurity 31 (CAS 2761502-58-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-I192231
cas2761502-58-1
sizeon request
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Structural formula: {0} (CAS {1})

1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate;hydrogen sulfate (CAS 2761502-58-1) is a chemical compound with the molecular formula C32H31F2N7O8S2 and a molecular weight of 743.8 g/mol. IUPAC name: 1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate;hydrogen sulfate. InChIKey: ALLXRLJQXPDPGQ-WJVMXJECSA-M.

Identity
Molecular formulaC32H31F2N7O8S2
Molecular weight743.8 g/mol
IUPAC name1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethyl N-[3-(hydroxymethyl)-2-pyridinyl]-N-methylcarbamate;hydrogen sulfate
InChIKeyALLXRLJQXPDPGQ-WJVMXJECSA-M
SMILESC[C@@H](C1=NC(=CS1)C2=CC=C(C=C2)C#N)[C@](CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)CO)(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Isavuconazole Impurity 31