rac 7,14-Dihydroxy Efavirenz 7-O-beta-D-Glucuronide

Analyte Name

rac 7,14-Dihydroxy Efavirenz 7-O-beta-D-Glucuronide

Molecular Formula

C20 H17 Cl F3 N O10

Molecular Weight

523.798

Accurate Mass

523.049

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2cc3NC(=O)OC(C#CC4(O)CC4)(c3cc2Cl)C(F)(F)F)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C20H17ClF3NO10/c21-8-5-7-9(6-10(8)33-16-13(28)11(26)12(27)14(34-16)15(29)30)25-17(31)35-19(7,20(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-[2-(1-hydroxycyclopropyl)ethynyl]-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat