Products 146490-58-6

CAS 146490-58-6 is the registry number for trans-3'-Benzoyloxy cotinine 2,3,4-tri-O-acetyl-N-b-D-glucuronide methyl ester bromide. Offered by: Biosynth. Available pack sizes: 2mg, 1mg, 5mg, 10mg.

trans-3'-Benzoyloxy cotinine 2,3,4-tri-O-acetyl-N-b-D-glucuronide methyl ester bromide
Biosynth
  • size: 2mg, 1mg, 5mg, 10mg
  • Variants: 4
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Structural formula: {0} (CAS {1})

Methyl (2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[(2S,4R)-4-benzoyloxy-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate bromide (CAS 146490-58-6) is a chemical compound with the molecular formula C30H33BrN2O12 and a molecular weight of 693.5 g/mol. IUPAC name: methyl (2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[(2S,4R)-4-benzoyloxy-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate bromide. InChIKey: AFPUKFPHPAWMEP-QQVAJBBCSA-M.

Identity
Molecular formulaC30H33BrN2O12
Molecular weight693.5 g/mol
IUPAC namemethyl (2R,3R,4R,5S,6S)-3,4,5-triacetyloxy-6-[3-[(2S,4R)-4-benzoyloxy-1-methyl-5-oxopyrrolidin-2-yl]pyridin-1-ium-1-yl]oxane-2-carboxylate bromide
InChIKeyAFPUKFPHPAWMEP-QQVAJBBCSA-M
SMILESCC(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1OC(=O)C)[N+]2=CC=CC(=C2)[C@@H]3C[C@H](C(=O)N3C)OC(=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C.[Br-]

Computed by PubChem (NCBI)