Atorvastatin Acetonide - CAS 581772-29-4

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Catalog Number: R046530

CAS Number: 581772-29-4

PubChem Substance ID:355145336

Molecular Formula: C36H39FN2O5

Molecular Weight:598.715

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms(4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid;

Property

Molecular Formula: C36H39FN2O5
Molecular Weight598.715
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name2-[(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]acetic acid
InChIInChI=1S/C36H39FN2O5/c1-23(2)33-32(35(42)38-27-13-9-6-10-14-27)31(24-11-7-5-8-12-24)34(25-15-17-26(37)18-16-25)39(33)20-19-28-21-29(22-30(40)41)44-36(3,4)43-28/h5-18,23,28-29H,19-22H2,1-4H3,(H,38,42)(H,40,41)/t28-,29-/m1/s1
InChIKeyYFMKJVDVNPLQFO-FQLXRVMXSA-N
SMILESCC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5