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Rosuvastatin sodium salt-[d3]

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General Information
Catalog: BLP-004161
CAS: 1279031-70-7
Molecular Formula: C22H24D3FN3NaO6S
Molecular Weight: 506.54

Chemical Structure

Description	Rosuvastatin sodium salt-[d3] is a labelled impurity of Rosuvastatin. Rosuvastatin, also called as ZD 4522 or Crestor, a synthetic statin, in the phase III HYDRA trial for Hypercholesterolaemia, is a competitive inhibitor of HMG-CoA reductase (IC50 = 11 nM).
Synonyms	(3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl-d3)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Monosodium Salt; [S-[R,S-(E)]]-7-[4-(4-Fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl-d3)amino]-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic Acid Monosodium Salt; (3R,5S,6E)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methanesulfonyl-d3)methylamino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic Acid Sodium Salt
IUPAC Name	sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate
Related CAS	147098-18-8 (unlabelled)
Canonical SMILES	CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]
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/i3D3;
InChI Key	RGEBGDYYHAFODH-SYRJKFITSA-M
Melting Point	>104°C(dec.)
Purity	≥90%
Solubility	Soluble in DMSO
Appearance	Off-white to Pale Yellow Solid
Storage	Store at-20°C