Rosuvastatin

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Systematic / IUPAC Name: (3R,5S,6E)-7-{4-(4-Fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid

ID: Reference1122

Other Names: (3R,5S,6E)-7-{4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[ethyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid ;
(3R,5S,6E)-7-{4-(4-Fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid

Formula: C22H28FN3O6S

Class: Therapeutics/Prescription Drugs Endogenous Metabolites

Spectral Data

Rosuvastatin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments LTQ Orbitrap XL; Orbitrap Elite
No. of Spectral Trees 3
No. of Spectra 6752
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 3/30/2017 12:14:28 PM
View Mass Spec Data > >

Identificators

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
InChI Key BPRHUIZQVSMCRT-VEUZHWNKSA-N
Canonical SMILES CC(C)C1=NC(=NC(=C1/C=C/C(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C
CAS 287714414
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Other Names (3R,5S,6E)-7-{4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[ethyl(methylsulfonyl)amino]-5-pyrimidinyl}-3,5-dihydroxy-6-heptenoic acid ;
(3R,5S,6E)-7-{4-(4-Fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoic acid

In Other Databases

PubChem 446157
KEGG D01915; D08492
ChemSpider 393589
ChEBI CHEBI:38545
Wikipedia Rosuvastatin
ChEMBL CHEMBL1496
HMDb HMDB15230