Products 2169911-50-4

CAS 2169911-50-4 is the registry number for N-tert-Butyl Formyl Isavuconazonium Iodide Salt. Offered by: TRC. Available pack sizes: 10mg.

N-tert-Butyl Formyl Isavuconazonium Iodide Salt
TRC
  • size: 10mg
  • 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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide (CAS 2169911-50-4) is a chemical compound with the molecular formula C40H43F2IN8O7S and a molecular weight of 944.8 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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide. InChIKey: SMJKATJGIBGWSI-PRJXVFPHSA-M.

Identity
Molecular formulaC40H43F2IN8O7S
Molecular weight944.8 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-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide
InChIKeySMJKATJGIBGWSI-PRJXVFPHSA-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)CN(C)C(=O)OC(C)(C)C)(C5=C(C=CC(=C5)F)F)O.[I-]

Computed by PubChem (NCBI)

Synonyms: N-tert-Butyl Formyl Isavuconazonium Iodide Salt
Related forms of this compound
[2-[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]ethoxycarbonyl-methylamino]-3-pyridinyl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate iodide C40H43F2IN8O7S