N-tert-Butyl Formyl Isavuconazonium Iodide Salt

cas: 2169911-50-4 — see every product listed under this CAS number, including other names

N-tert-Butyl Formyl Isavuconazonium Iodide Salt (CAS 2169911-50-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

brandTRC
catalog numberTRC-B492375-10MG
cas2169911-50-4
size10mg
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Available pack sizes

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TRC 10mg price on request

properties

purityNo data
delivery timeTo be confirmed by Chemat
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)