Analyte Name

rac 7,14-Dihydroxy Efavirenz 7-O-beta-D-Glucuronide-d4

Molecular Formula

C20 D4 H13 Cl F3 N O10

Molecular Weight

527.822

Accurate Mass

527.074

SMILES

[2H]C1([2H])C([2H])([2H])C1(O)C#CC2(OC(=O)Nc3cc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)O)c(Cl)cc23)C(F)(F)F

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/i1D2,2D2

IUPAC

(2S,3S,4S,5R,6S)-6-[[6-chloro-2-oxo-4-[2-(2,2,3,3-tetradeuterio-1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat