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2-Hydroxy Atorvastatin Lactone-[d5]

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General Information
Catalog: BLP-010389
CAS: 265989-50-2
Molecular Formula: C33H28D5FN2O5
Molecular Weight: 561.65

Chemical Structure

Description	2-Hydroxy Atorvastatin Lactone-[d5] is the labelled analogue of 2-Hydroxy Atorvastatin Lactone, which is a metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor.
Synonyms	2-Hydroxy Atorvastatin Lactone D5; 5-(4-Fluorophenyl)-N-(2-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; O-Hydroxy atorvastatin lactone-d5
IUPAC Name	5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(2-hydroxyphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2-propan-2-ylpyrrole-3-carboxamide
Related CAS	163217-74-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3O)C(C)C)CC[C@@H]4C[C@H](CC(=O)O4)O)C5=CC=C(C=C5)F)[2H])[2H]
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=CC=C5O
InChI	InChI=1S/C33H33FN2O5/c1-20(2)31-30(33(40)35-26-10-6-7-11-27(26)38)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-25-18-24(37)19-28(39)41-25/h3-15,20,24-25,37-38H,16-19H2,1-2H3,(H,35,40)/t24-,25-/m1/s1/i3D,4D,5D,8D,9D
InChI Key	MNECBMZJZFGTIK-AABVQTEKSA-N
Melting Point	103-107°C
Purity	≥95%; ≥98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Beige to Yellow Solid
Application	An isotopically labelled metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercho
Storage	Store at -20°C under inert atmosphere