Products 1099474-28-8

CAS 1099474-28-8 appears in our catalog under these names: Atorvastatin Impurity 76, 2-Fluoro Atorvastatin tert-Butyl Ester. Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 1g, 500mg.

Atorvastatin Impurity 76
Chemat Brand
  • size: on request
  • Variants: 1
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2-Fluoro Atorvastatin tert-Butyl Ester
TRC, Biosynth
  • size: 1g, 500mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

Tert-butyl 2-[(4R,6R)-6-[2-[2-(2-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CAS 1099474-28-8) is a chemical compound with the molecular formula C40H47FN2O5 and a molecular weight of 654.8 g/mol. IUPAC name: tert-butyl 2-[(4R,6R)-6-[2-[2-(2-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate. InChIKey: DKLDCYSMISEWEJ-LOYHVIPDSA-N.

Identity
Molecular formulaC40H47FN2O5
Molecular weight654.8 g/mol
IUPAC nametert-butyl 2-[(4R,6R)-6-[2-[2-(2-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
InChIKeyDKLDCYSMISEWEJ-LOYHVIPDSA-N
SMILESCC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=CC=C3F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: 2-Fluoro Atorvastatin tert-Butyl Ester
Isomers (same molecular formula)
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate C40H47FN2O5
tert-butyl 2-[(4S,6S)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate C40H47FN2O5
tert-butyl 2-[(4S,6R)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate C40H47FN2O5
tert-butyl 2-[(4R,6S)-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate C40H47FN2O5
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(2,3,4,5,6-pentadeuteriophenyl)carbamoyl]-3-phenyl-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate C40H47FN2O5