Nombre del analito

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

Número CAS

349536-40-9

Fórmula molecular

C24 H23 Cl N2 O9 S

Peso molecular

550.965

Masa exacta

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

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat