Oxazepam-D5 beta-D-Glucuronic Acid Methyl Ester

Analyte Name

Oxazepam-D5 beta-D-Glucuronic Acid Methyl Ester

Molecular Formula

C22 D5 H16 Cl N2 O8

Molecular Weight

481.895

Accurate Mass

481.13

SMILES

[2H]c1c([2H])c([2H])c(C2=NC(O)C(=Nc3ccc(Cl)cc23)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)OC)c([2H])c1[2H]

InChI

InChI=1S/C22H21ClN2O8/c1-31-21(30)18-16(27)15(26)17(28)22(32-18)33-20-19(29)25-14(10-5-3-2-4-6-10)12-9-11(23)7-8-13(12)24-20/h2-9,15-19,22,26-29H,1H3/t15-,16-,17+,18-,19?,22-/m0/s1/i2D,3D,4D,5D,6D

IUPAC

methyl (2S,3S,4S,5R,6S)-6-[[7-chloro-3-hydroxy-5-(2,3,4,5,6-pentadeuteriophenyl)-3H-1,4-benzodiazepin-2-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat