Products 697751-82-9

CAS 697751-82-9 is the registry number for Posaconazole-D-Glucuronide. Offered by: TRC, Biosynth. Available pack sizes: 25mg, 5mg, 10mg, 50mg.

Posaconazole-D-Glucuronide
TRC, Biosynth
  • size: 25mg, 5mg, 10mg, 50mg
  • Variants: 5
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6R)-6-[(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 697751-82-9) is a chemical compound with the molecular formula C43H50F2N8O10 and a molecular weight of 876.9 g/mol. IUPAC name: (2S,3S,4S,5R,6R)-6-[(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: RMRMLQCGGXZVLN-OPXQCEFMSA-N.

Identity
Molecular formulaC43H50F2N8O10
Molecular weight876.9 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[(2S,3S)-3-[4-[4-[4-[4-[[(3R,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-5-oxo-1,2,4-triazol-1-yl]pentan-2-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyRMRMLQCGGXZVLN-OPXQCEFMSA-N
SMILESCC[C@@H]([C@H](C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)N2C(=O)N(C=N2)C3=CC=C(C=C3)N4CCN(CC4)C5=CC=C(C=C5)OC[C@H]6C[C@](OC6)(CN7C=NC=N7)C8=C(C=C(C=C8)F)F

Computed by PubChem (NCBI)

Synonyms: Posaconazole-glucuronide, Posaconazole (m8), Posaconazole-D-Glucuronide