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4-Hydroxy Atorvastatin Lactone-[d5]

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General Information
Catalog: BLP-012807
CAS: 265989-49-9
Molecular Formula: C33H28D5FN2O5
Molecular Weight: 561.65

Chemical Structure

Description	4-Hydroxy Atorvastatin Lactone-[d5] is the labelled analogue of 4-Hydroxy Atorvastatin Lactone, which is a metabolite of Atorvastatin. Atorvastatin is a selective, competitive HMG-CoA reductase inhibitor.
Synonyms	4-Hydroxy Atorvastatin Lactone D5; para-Hydroxy Atorvastatin-d5 Lactone; 5-(4-Fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1H-pyrrole-3-carboxamide-d5
IUPAC Name	5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide
Related CAS	163217-70-7 (unlabelled)
Canonical SMILES	CC(C)C1=C(C(=C(N1CCC2CC(CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O
InChI	InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)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)17-16-27-18-26(38)19-28(39)41-27/h3-15,20,26-27,37-38H,16-19H2,1-2H3,(H,35,40)/t26-,27-/m1/s1/i3D,4D,5D,6D,7D
InChI Key	KDJMDZSAAFACAM-GVULGNFTSA-N
Melting Point	>125°C
Purity	≥96% by HPLC; ≥98% atom D
Solubility	Soluble in Methanol (Slightly), Water (Slightly, Heated)
Appearance	White to Yellow Solid
Storage	Store at -20°C under inert atmosphere