rac 8,14-Dihydroxy Efavirenz 8-O-beta-D-Glucuronide

Nombre del analito

rac 8,14-Dihydroxy Efavirenz 8-O-beta-D-Glucuronide

Número CAS

1702668-56-1

Fórmula molecular

C20H17ClF3NO10

Peso molecular

523.8

Masa exacta

523.05

SMILES

ClC1=CC(C(C#CC2(O)CC2)(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/C20H17ClF3NO10/c21-7-5-8-10(9(6-7)33-16-13(28)11(26)12(27)14(34-16)15(29)30)25-17(31)35-19(8,20(22,23)24)4-3-18(32)1-2-18/h5-6,11-14,16,26-28,32H,1-2H2,(H,25,31)(H,29,30)/t11-,12-,13+,14-,16+,19-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-((6-chloro-4-((1-hydroxycyclopropyl)ethynyl)-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