chempirical

Rosuvastatin sodium

C22H27FN3NaO6SCAS 147098-18-8503.52 g/mol

Open in Covalent MOL file
NNOO−OHOHFNSOONa+
AlcoholAlkeneAryl halideCarboxylic acidSulfonamide

Properties

Molecular formula
C22H27FN3NaO6S
Molar mass
503.52 g/mol
Exact mass
503.1502 Da
logP
-1.93Crippen estimate
Polar surface area
143.8 Ų
H-bond donors / acceptors
2 / 8
Rotatable bonds
10
Stereocentres
S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
147098-18-8
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.[Na+]
InChIKey
RGEBGDYYHAFODH-DHMAKVBVSA-M
InChI
InChI=1S/C22H28FN3O6S.Na/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);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1

Weigh it out

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

Names and synonyms

1 names
  • Sodium (3R,5S,6E)-7-(4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate

Work with Rosuvastatin sodium

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

Rosuvastatin calcium147098-20-292 % similar (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 Rivastatin143201-11-060 % similar N-[4-(4-Fluorophenyl)-5-formyl-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide147118-37-455 % similar N-[4-(4-Fluorophenyl)-5-(hydroxymethyl)-6-(1-methylethyl)-2-pyrimidinyl]-N-methylmethanesulfonamide147118-36-354 % similar

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

Elsewhere

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