rac 7-Hydroxy Efavirenz 7-O-beta-D-Glucuronide

Analyte Name

rac 7-Hydroxy Efavirenz 7-O-beta-D-Glucuronide

CAS Number

1702668-46-9

Molecular Formula

C20H17ClF3NO9

Molecular Weight

507.8

Accurate Mass

507.05

SMILES

ClC1=CC(C(C#CC2CC2)(C(F)(F)F)OC(N3)=O)=C3C=C1O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(O)=O)O4

InChI

InChI=1S/C20H17ClF3NO9/c21-9-5-8-10(25-18(31)34-19(8,20(22,23)24)4-3-7-1-2-7)6-11(9)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-((6-chloro-4-(cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-1,4-dihydro-2H-benzo[d][1,3]oxazin-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat