Rosuvastatin Calcium

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 589
Total Number of Articles : 998
PubChem 5282455
Molecular Formula

C44H54CaF2N6O12S2

SMILES

CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)C)C)C.[Ca+2]

InChI

InChI=1S/2C22H28FN3O6S.Ca/c2*1-13(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;/h2*5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;;+2/p-2/b2*10-9+;/t2*16-,17-;/m11./s1

synonyms
  • Rosuvastatin calcium
  • 147098-20-2
  • Rosuvastatin hemicalcium
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Properties
Property Value
MW 1001.1 g/mol
HBD 4
HBA 20
Rotatable Bond Count 18
Exact Mass 1000.2835107 g/mol
Monoisotopic Mass 1000.2835107 g/mol
Heavy Atom Count 67
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 3
Complexity 761
xlogp None
Topological Polar Surface Area 304