Products 110862-48-1

CAS 110862-48-1 appears in our catalog under these names: Atorvastatin Impurity 153, Atorvastatin, rel-(βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid, >98.0%, >98.0%. Offered by: Chemat Brand, Biosynth, Chemat. Available pack sizes: on request, 25mg, 10mg, 50mg, 100mg, 250mg, 500mg, 1g.

Structural formula: {0} (CAS {1})

Atorvastatin is a dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. It has a role as a xenobiotic and an environmental contaminant. It is a member of pyrroles, a dihydroxy monocarboxylic acid, an aromatic amide, a member of monofluorobenzenes and a statin (synthetic). It is functionally related to a heptanoic acid. It is a conjugate acid of an atorvastatin(1-).

Source: ChEBI

Identity
Molecular formulaC33H35FN2O5
Molecular weight558.6 g/mol
IUPAC name(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
InChIKeyXUKUURHRXDUEBC-KAYWLYCHSA-N
SMILESCC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Computed by PubChem (NCBI)