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

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General Information
Catalog: BLP-012216
CAS: 265989-37-5
Molecular Formula: C47H48D5FN2O6
Molecular Weight: 765.96

Chemical Structure

Description	4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester-[d5] is the labelled analogue of 4-Benzyloxy Atorvastatin Acetonide tert-Butyl Ester, which is a metabolite of Atorvastatin.
Synonyms	4-Benzyloxy Atorvastatin-d5 Acetonide tert-Butyl Ester
IUPAC Name	tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-[(4-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
Related CAS	163217-68-3 (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)OCC6=CC=CC=C6
InChI	InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-36-22-24-37(25-23-36)53-30-32-14-10-8-11-15-32)41(33-16-12-9-13-17-33)44(34-18-20-35(48)21-19-34)50(43)27-26-38-28-39(55-47(6,7)54-38)29-40(51)56-46(3,4)5/h8-25,31,38-39H,26-30H2,1-7H3,(H,49,52)/t38-,39-/m1/s1/i9D,12D,13D,16D,17D
InChI Key	LKMXIMMZUBCVBP-WSIHKHEXSA-N
Boiling Point	767.4±60.0 °C at 760 mmHg
Purity	98% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate
Appearance	Light-Pink Solid
Application	A deuterated intermediate of the 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
Storage	Store at -20°C