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4-Hydroxy Atorvastatin-[d5] Disodium Salt

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General Information
Catalog: BLP-002900
Molecular Formula: C33H28D5FN2O6.2Na
Molecular Weight: 623.63

Chemical Structure

Description	4-Hydroxy Atorvastatin-[d5] Disodium Salt is the labelled salt of 4-Hydroxy Atorvastatin, which is a metabolite of Atorvastatin. Atorvastatin, a HMG-CoA reductase inhibitor, could be used to reduce cholesterol and prevent cardiovascular related disease.
Synonyms	4-Hydroxy Atorvastatin D5 Disodium Salt; (βR,δR)-2-(4-Fluorophenyl)-β,δ-dihydroxy-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrole-1-heptanoic Acid-d5 Disodium Salt
IUPAC Name	disodium;(3R,5R)-7-[2-(4-fluorophenyl)-4-[(4-oxidophenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Related CAS	1276537-18-8 (unlabelled)
Canonical SMILES	CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[O-].[Na+].[Na+]
InChI	InChI=1S/C33H35FN2O6.2Na/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41;;/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);;/q;2*+1/p-2/t26-,27-;;/m1../s1/i3D,4D,5D,6D,7D;;
InChI Key	LTONRNZYFYCVRP-BRHLTBDCSA-L
Melting Point	> 166 °C (dec.)
Purity	95%; ≥ 98% atom D
Solubility	Soluble in Methanol, Water
Appearance	Pale Brown Solid
Storage	-20 °C under inert atmosphere