8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide

Nombre del analito

8-Hydroxy Efavirenz 8-O-beta-D-Glucuronide

Número CAS

252343-38-7

Fórmula molecular

C20H17ClF3NO9

Peso molecular

507.8

Masa exacta

507.05

SMILES

ClC1=CC([C@@](C#CC2CC2)(C(F)(F)F)OC(N3)=O)=C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4)=C1

InChI

InChI=1S/C20H17ClF3NO9/c21-8-5-9-11(25-18(31)34-19(9,20(22,23)24)4-3-7-1-2-7)10(6-8)32-17-14(28)12(26)13(27)15(33-17)16(29)30/h5-7,12-15,17,26-28H,1-2H2,(H,25,31)(H,29,30)/t12-,13-,14+,15?,17+,19?/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-(((S)-6-chloro-4-(cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-8-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat