Analyte Name

(S)-Efavirenz N-beta-D-Glucuronide Methyl Ester

Molecular Formula

C21 H19 Cl F3 N O8

Molecular Weight

505.826

Accurate Mass

505.075

SMILES

COC(=O)[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)N2C(=O)O[C@@](C#CC3CC3)(c4cc(Cl)ccc24)C(F)(F)F

InChI

InChI=1S/C21H19ClF3NO8/c1-32-18(30)16-14(28)13(27)15(29)17(33-16)26-12-5-4-10(22)8-11(12)20(21(23,24)25,34-19(26)31)7-6-9-2-3-9/h4-5,8-9,13-17,27-29H,2-3H2,1H3/t13-,14-,15+,16-,17+,20-/m0/s1

IUPAC

methyl (2S,3S,4S,5R,6R)-6-[(4S)-6-chloro-4-(2-cyclopropylethynyl)-2-oxo-4-(trifluoromethyl)-3,1-benzoxazin-1-yl]-3,4,5-trihydroxyoxane-2-carboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Bioactive Small Molecule

Product Format

Neat