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Product Overview

Product Code

TRC-R700525

CAS Number

503610-44-4

Product Format

Neat

Molecular Formula

C28 H36 F N3 O12 S

Molecular Weight

657.66

API Family

Rosuvastatin

Product Categories

TRC, Additional endogenous metabolites, Pharmaceutical Toxicology Reference Materials , Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Rosuvastatin Acyl-beta-D-glucuronide

CAS Number

503610-44-4

Molecular Formula

C28 H36 F N3 O12 S

Molecular Weight

657.66

Accurate Mass

657.2004

SMILES

CC(C)c1nc(nc(c1\C=C\[C@@H](O)C[C@@H](O)CC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)c3ccc(F)cc3)N(C)S(=O)(=O)C

InChI

InChI=1S/C28H36FN3O12S/c1-13(2)20-18(21(14-5-7-15(29)8-6-14)31-28(30-20)32(3)45(4,41)42)10-9-16(33)11-17(34)12-19(35)43-27-24(38)22(36)23(37)25(44-27)26(39)40/h5-10,13,16-17,22-25,27,33-34,36-38H,11-12H2,1-4H3,(H,39,40)/b10-9+/t16-,17-,22+,23+,24-,25+,27-/m1/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat

API Family

Rosuvastatin

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