3-Oxo Atorvastatin

cas: 887196-30-7 — see every product listed under this CAS number, including other names

3-Oxo Atorvastatin (CAS 887196-30-7) is a chemical reagent available from Chemat. Available pack sizes: on request, Get quote. Offered by: Chemat Brand, MedChemExpress.

brandChemat Brand
catalog numberRM-A202273
cas887196-30-7
sizeon request
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Structural formula: {0} (CAS {1})

(5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid (CAS 887196-30-7) is a chemical compound with the molecular formula C33H33FN2O5 and a molecular weight of 556.6 g/mol. IUPAC name: (5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid. InChIKey: JVFCMPKBFPIOON-AREMUKBSSA-N.

Identity
Molecular formulaC33H33FN2O5
Molecular weight556.6 g/mol
IUPAC name(5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
InChIKeyJVFCMPKBFPIOON-AREMUKBSSA-N
SMILESCC(C)C1=C(C(=C(N1CC[C@H](CC(=O)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: 3-Oxo Atorvastatin, orb1992980, 4-Aza-5alpha-androstan-1-ene-3-one-17beta-carboxylic acid, 3-Oxo Atorvastatin; Atorvastatin EP Impurity O, Atorvastatin Impurity 23;Atorvastatin EP Impurity O, ATORVASTATIN CALCIUM IMPURITY O [EP IMPURITY]
Related forms of this compound
7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid C33H33FN2O5
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
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3-hydroxy-5-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

Also listed as

Atorvastatin Calcium EP Impurity O Chemat Brand CAS 887196-30-7
3–Oxo Atorvastatin GLPBio CAS 887196-30-7