Products 1391052-82-6

CAS 1391052-82-6 appears in our catalog under these names: 5-Oxo Atorvastatin, 5-Oxo Atorvastatin, >95% (HPLC). Offered by: Chemat Brand, TRC, Biosynth. Available pack sizes: on request, 10mg, 1mg, 2mg, 5mg.

5-Oxo Atorvastatin
Chemat Brand, Biosynth
  • size: on request, 1mg, 2mg, 5mg
  • Variants: 5
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5-Oxo Atorvastatin, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid (CAS 1391052-82-6) is a chemical compound with the molecular formula C33H33FN2O5 and a molecular weight of 556.6 g/mol. IUPAC name: (3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid. InChIKey: HIWOZSQQGYAAGY-HHHXNRCGSA-N.

Identity
Molecular formulaC33H33FN2O5
Molecular weight556.6 g/mol
IUPAC name(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-oxoheptanoic acid
InChIKeyHIWOZSQQGYAAGY-HHHXNRCGSA-N
SMILESCC(C)C1=C(C(=C(N1CCC(=O)C[C@H](CC(=O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Computed by PubChem (NCBI)

Synonyms: 5-Oxo Atorvastatin, Atorvastatin 5-Oxo Acid
Isomers (same molecular formula)
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide C33H33FN2O5
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-2-oxo-N,4-diphenyl-3-propan-2-ylpyrrole-3-carboxamide C33H33FN2O5
(5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid C33H33FN2O5
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide C33H33FN2O5
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide C33H33FN2O5
5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide C33H33FN2O5
7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid C33H33FN2O5