Product Code

TRC-D293065

CAS Number

349536-40-9

Product Format

Neat

Molecular Formula

C24 H23 Cl N2 O9 S

Molecular Weight

550.965

Product Categories

TRC, Cyclooxygenase, Pain and Inflammation, API Reference Standards & Research Materials

Product Type

API

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

6'-Desmethyl-6'-methylhydroxy Etoricoxib-beta-glucuronide

CAS Number

349536-40-9

Molecular Formula

C24 H23 Cl N2 O9 S

Molecular Weight

550.965

Accurate Mass

550.081

SMILES

CS(=O)(=O)c1ccc(cc1)c2cc(Cl)cnc2c3ccc(CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)nc3

InChI

InChI=1S/C24H23ClN2O9S/c1-37(33,34)16-6-3-12(4-7-16)17-8-14(25)10-27-18(17)13-2-5-15(26-9-13)11-35-24-21(30)19(28)20(29)22(36-24)23(31)32/h2-10,19-22,24,28-30H,11H2,1H3,(H,31,32)/t19-,20-,21+,22-,24+/m0/s1

IUPAC

(2S,3S,4S,5R,6R)-6-[[5-[5-chloro-3-(4-methylsulfonylphenyl)pyridin-2-yl]pyridin-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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6'-Desmethyl-6'-methylhydroxy Etoricoxib-beta-glucuronide

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