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Rosuvastatin 100mg

CAT: 0628-A11122-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A11122-100Size:100 mg
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CAS Number
287714-41-4

Chemical Information

Rosuvastatin

Rosuvastatin is a dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). It has a role as an antilipemic drug, a xenobiotic, a CETP inhibitor, an anti-inflammatory agent, a cardioprotective agent and an environmental contaminant. It is a sulfonamide, a dihydroxy monocarboxylic acid, a member of pyrimidines, a member of monofluorobenzenes and a statin (synthetic). It is functionally related to a hept-6-enoic acid. It is a conjugate acid of a rosuvastatin(1-).

CAS Number287714-41-4
PubChem CID446157
IUPAC Name(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular FormulaC22H28FN3O6S
Molecular Weight481.5
XLogP1.6
Topological Polar Surface Area149
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity767
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
Chemical Structure
2D Structure
2D structure of Rosuvastatin
CAS: 287714-41-4
CID: 446157
Formula: C22H28FN3O6S
MW: 481.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.5
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass481.16828496
Monoisotopic Mass481.16828496
Topological Polar Surface Area149 Ų
Heavy Atom Count33
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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