Products 2169911-48-0

CAS 2169911-48-0 is the registry number for epi-Isavuconazonium Iodide Hydrochloride. Offered by: TRC. Available pack sizes: 25mg.

epi-Isavuconazonium Iodide Hydrochloride
TRC
  • size: 25mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[2-[1-[1-[(2R,3S)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate;iodide;hydrochloride (CAS 2169911-48-0) is a chemical compound with the molecular formula C35H36ClF2IN8O5S and a molecular weight of 881.1 g/mol. IUPAC name: [2-[1-[1-[(2R,3S)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate;iodide;hydrochloride. InChIKey: SGRYPJTWYZUIHZ-VTRJISHNSA-M.

Identity
Molecular formulaC35H36ClF2IN8O5S
Molecular weight881.1 g/mol
IUPAC name[2-[1-[1-[(2R,3S)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-(methylamino)acetate;iodide;hydrochloride
InChIKeySGRYPJTWYZUIHZ-VTRJISHNSA-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)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O.Cl.[I-]

Computed by PubChem (NCBI)

Synonyms: epi-Isavuconazonium Iodide Hydrochloride, Isavuconazole Impurity 99 Iodization HCl