Product Code

TRC-B287647

CAS Number

265989-41-1

Product Format

Neat

Molecular Formula

C47H48D5FN2O6

Molecular Weight

765.96

Product Categories

TRC, Stable isotopes, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled

Unlabelled CAS Number

265989-39-7

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

2-Benzyloxy Atorvastatin-d5 Acetonide tert-Butyl Ester

CAS Number

265989-41-1

Molecular Formula

C47H48D5FN2O6

Molecular Weight

765.96

Accurate Mass

765.4201

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccccc3OCc4ccccc4)c(C(C)C)n(CC[C@@H]5C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O5)c2c6ccc(F)cc6

InChI

InChI=1S/C47H53FN2O6/c1-31(2)43-42(45(52)49-38-20-14-15-21-39(38)53-30-32-16-10-8-11-17-32)41(33-18-12-9-13-19-33)44(34-22-24-35(48)25-23-34)50(43)27-26-36-28-37(55-47(6,7)54-36)29-40(51)56-46(3,4)5/h8-25,31,36-37H,26-30H2,1-7H3,(H,49,52)/t36-,37-/m1/s1/i9D,12D,13D,18D,19D

IUPAC

tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-[(2-phenylmethoxyphenyl)carbamoyl]-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Unlabelled CAS Number

265989-39-7

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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2-Benzyloxy Atorvastatin-d5 Acetonide tert-Butyl Ester

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