chempirical

Rosuvastatin calcium

C44H54CaF2N6O12S2CAS 147098-20-21001.14 g/mol

Open in Covalent MOL file
NNSOONFOHOHO−ONNSOONFOHOHO−OCa2+
AlcoholAlkeneAryl halideCarboxylic acidSulfonamide

Properties

Molecular formula
C44H54CaF2N6O12S2
Molar mass
1001.14 g/mol
Exact mass
1000.2835 Da
logP
2.02Crippen estimate
Polar surface area
140.9 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
10
Stereocentres
S, R, S, Rin SMILES atom order
Double bonds
E, EE/Z, in SMILES order

Identifiers

CAS number
147098-20-2
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.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.[Ca+2]
InChIKey
AVDMILNVMOXCHF-DHMAKVBVSA-N
InChI
InChI=1S/C22H28FN3O6S.Ca/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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E)-
  • 6-Heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, calcium salt (2:1), [S-[R*,S*-(E)]]-
  • S 4522
  • ZD 4522, calcium salt
  • Rosuvastatin hemicalcium
  • Crestor
  • Rosuvastatin calcium salt
  • Fortius
  • Rostar
  • Rozavel
  • Crestomed
  • Suvikan
  • Razel-F 10
  • AZD 4522 calcium
  • AZD4522 calcium
  • AZD-4522 calcium

Work with Rosuvastatin calcium

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(3S,5R)-Rosuvastatin1242184-42-479 % similar Rosuvastatin287714-41-479 % similar Rosuvastatin methyl ester147118-40-976 % similar 1,1-Dimethylethyl (3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoate355806-00-773 % similar N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide147118-37-455 % similar Rivastatin143201-11-055 % similar N-[4-(4-Fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide147118-36-354 % similar 1,1-Dimethylethyl (4R,6S)-6-[(1E)-2-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]ethenyl]-2,2-dimethyl-1,3-dioxane-4-acetate289042-12-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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