(3S,5S)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic Acid Calcium Salt (ent-Atorvastatin Calcium Salt)

cas: 1105067-88-6 — see every product listed under this CAS number, including other names

(3S,5S)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoic Acid Calcium Salt (ent-Atorvastatin Calcium Salt) (CAS 1105067-88-6) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: Mikromol.

brandMikromol
catalog numberMM0400.28-0025
cas1105067-88-6
size25mg
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Structural formula: {0} (CAS {1})

Calcium bis((3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate) (CAS 1105067-88-6) is a chemical compound with the molecular formula C66H68CaF2N4O10 and a molecular weight of 1155.3 g/mol. IUPAC name: calcium bis((3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate). InChIKey: FQCKMBLVYCEXJB-XOOYZFGPSA-L.

Identity
Molecular formulaC66H68CaF2N4O10
Molecular weight1155.3 g/mol
IUPAC namecalcium bis((3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate)
InChIKeyFQCKMBLVYCEXJB-XOOYZFGPSA-L
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.CC(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.[Ca+2]

Computed by PubChem (NCBI)

Synonyms: (3S,5S)-Atorvastatin Calcium Salt, 3S, 5S enantioMer of Atorvastatin CalciuM, (3S,5S)-Atorvastatin Calcium, ent-Atorvastatin Calcium Salt, (3S,5S)-Atorvastatin hemicalcium salt, Atorvastatin EP Impurity E(Calcium salt), Atorvastatin EP Impurity E;<br>USP Atorvastatin Related Compound E
Related forms of this compound
calcium bis((3S,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate) C66H68CaF2N4O10
calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate) C66H68CaF2N4O10

Also listed as

Atorvastatin Impurity 25（Atorvastatin EP Impurity E Calcium Salt） Hubei YoungXin CAS 1105067-88-6
(3S,5S)-Atorvastatin Calcium Salt, >95% (HPLC) TRC CAS 1105067-88-6
(betaS,deltaS)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5- (1-methylethyl)-3-phenyl-4-((phenylamino)carbonyl)-1H-pyrrole- 1-heptanoic acid calcium salt (2:1) Biosynth CAS 1105067-88-6
(3S,5S)-Atorvastatin calcium salt, 97% (3S,5S)-Atorvastatin calcium salt, 97% Fluorochem CAS 1105067-88-6
Atorvastatin related compound E Supelco CAS 1105067-88-6