Products 1246812-37-2

CAS 1246812-37-2 is the registry number for Des(2-(1,2,4-triazolyl)) itraconazole-2-isocyanate. Offered by: Biosynth. Available pack sizes: 10mg, 5mg, 25mg, 50mg.

Des(2-(1,2,4-triazolyl)) itraconazole-2-isocyanate
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(isocyanatomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one (CAS 1246812-37-2) is a chemical compound with the molecular formula C34H36Cl2N6O5 and a molecular weight of 679.6 g/mol. IUPAC name: 2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(isocyanatomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one. InChIKey: FWULWQNHPKVVEM-XUOSIXAYSA-N.

Identity
Molecular formulaC34H36Cl2N6O5
Molecular weight679.6 g/mol
IUPAC name2-butan-2-yl-4-[4-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(isocyanatomethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
InChIKeyFWULWQNHPKVVEM-XUOSIXAYSA-N
SMILESCCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5CO[C@](O5)(CN=C=O)C6=C(C=C(C=C6)Cl)Cl

Computed by PubChem (NCBI)

Synonyms: Des[2-(1,2,4-triazolyl)] Itraconazole-2-isocyanate