Atorvastatin Impurity 78

cas: 947249-30-1 — see every product listed under this CAS number, including other names

Atorvastatin Impurity 78 (CAS 947249-30-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-A202278
cas947249-30-1
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Structural formula: {0} (CAS {1})

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 (CAS 947249-30-1) is a chemical compound with the molecular formula C40H47FN2O5 and a molecular weight of 654.8 g/mol. IUPAC name: 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. InChIKey: NPPZOMYSGNZDKY-AJQTZOPKSA-N.

Identity
Molecular formulaC40H47FN2O5
Molecular weight654.8 g/mol
IUPAC nametert-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
InChIKeyNPPZOMYSGNZDKY-AJQTZOPKSA-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=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5

Computed by PubChem (NCBI)

Synonyms: (3R,5S)-Atorvastatin Acetonide tert-Butyl Ester, Atorvastatin Impurity 78, Atorvastatin Impurity 68, tert-Butyl atorvastatin acetonide, (4R,6S)-
Related forms of this compound
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,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
Isomers (same molecular formula)
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 C40H47FN2O5

Also listed as

Atorvastatin Impurity 42 Hubei YoungXin CAS 947249-30-1
(3R,5S)-Atorvastatin Acetonide tert-Butyl Ester TRC CAS 947249-30-1