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4-Hydroxy Atorvastatin Acetonide tert-Butyl Ester-[d5]

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General Information
Catalog: BLP-006455
CAS: 265989-38-6
Molecular Formula: C40H42D5FN2O6
Molecular Weight: 675.84

Chemical Structure

Description	4-Hydroxy Atorvastatin Acetonide tert-Butyl Ester-[d5] is the labelled analogue of 4-Hydroxy Atorvastatin Acetonide tert-Butyl Ester, which is an intermediate of the metabolite of Atorvastin.
Synonyms	4-Hydroxy Atorvastatin-d5 Acetonide tert-Butyl Ester; (4R,6R)-6-[2-[2-(4-Fluorophenyl)-4-[[(4-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-d5-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester
IUPAC Name	tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(4-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Related CAS	265989-36-4 (unlabelled)
Canonical SMILES	CC(C)C1=C(C(=C(N1CCC2CC(OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)O
InChI	InChI=1S/C40H47FN2O6/c1-25(2)36-35(38(46)42-29-17-19-30(44)20-18-29)34(26-11-9-8-10-12-26)37(27-13-15-28(41)16-14-27)43(36)22-21-31-23-32(48-40(6,7)47-31)24-33(45)49-39(3,4)5/h8-20,25,31-32,44H,21-24H2,1-7H3,(H,42,46)/t31-,32-/m1/s1/i8D,9D,10D,11D,12D
InChI Key	AQMFQOCFGPMVGX-DHJJOHBTSA-N
Purity	≥98% by HPLC
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate
Appearance	White Foamy Solid