Products 338990-63-9

CAS 338990-63-9 appears in our catalog under these names: Isavuconazole Impurity 45, Isavuconazole Impurity 37, Isavuconazonium N-Boc Impurity. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 50mg.

Isavuconazole Impurity 45
Chemat Brand
  • size: on request
  • Variants: 1
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Isavuconazole Impurity 37
Chemat Brand
  • size: on request
  • Variants: 1
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Isavuconazonium N-Boc Impurity
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[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 chloride (CAS 338990-63-9) is a chemical compound with the molecular formula C40H43ClF2N8O7S and a molecular weight of 853.3 g/mol. IUPAC name: [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 chloride. InChIKey: MQJPVALDLKBJKP-CYDMSEOTSA-M.

Identity
Molecular formulaC40H43ClF2N8O7S
Molecular weight853.3 g/mol
IUPAC name[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 chloride
InChIKeyMQJPVALDLKBJKP-CYDMSEOTSA-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.[Cl-]

Computed by PubChem (NCBI)

Synonyms: Isavuconazonium N-Boc Impurity, Isavuconazole Impurity 37, Isavuconazole Impurity N14