Products 947249-30-1

CAS 947249-30-1 appears in our catalog under these names: Atorvastatin Impurity 78, Atorvastatin Impurity 42, (3R,5S)-Atorvastatin Acetonide tert-Butyl Ester. Offered by: Chemat Brand, Hubei YoungXin, TRC. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg.

Atorvastatin Impurity 78
Chemat Brand
  • size: on request
  • Variants: 1
View product
Atorvastatin Impurity 42
Hubei YoungXin
  • size: 10mg, 25mg, 50mg, 100mg
  • Variants: 5
View product
(3R,5S)-Atorvastatin Acetonide tert-Butyl Ester
TRC
  • size: 100mg
  • Variants: 1
View product
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