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Molecule record

(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid

C22H28FN3O6S

481.55 g/mol

Loading structure

Molecular properties

Formula
C22H28FN3O6S
Molar mass
481.55 g·mol−1
Exact mass
481.1683 Da
10
PubChem CID
446157

Functional groups

Alcohol
Alkane / alkyl carbon
Alkene
Aromatic ring
Aryl halide
Carboxylic acid

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • (3R,5R)-Rosuvastatin
  • (3R,5S)-7-(4-(4-fluorophenyl)-2-(methyl-methylsulfonylamino)-6-propan-2-ylpyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
  • (3R,5S,E)-7-(4-(4-Fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid
  • 287714-41-4
  • 413KH5ZJ73
  • C10AA07
  • C22H28FN3O6S
  • CHEBI:38545
Show all 24 synonyms
  • CHEMBL1496
  • Creston
  • Creston (TN)
  • DTXCID90820057
  • DTXSID8048492
  • MFCD18783208
  • RefChem:6205
  • Rosuvastatin
  • Rosuvastatin [INN:BAN]
  • Rosuvastatin [INN]
  • Rosuvastatina
  • X-Plended
  • ZD-4522
  • ZD4522
  • rosuvastatine
  • rosuvastatinum

Structure identifiers

Canonical SMILES
CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O
Isomeric SMILES
CC(C)C1=NC(=NC(=C1/C=C/[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
InChI
InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
InChIKey
BPRHUIZQVSMCRT-VEUZHWNKSA-N
PubChem CID
446157

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record