Analyte Name

rac Alvimopan-d5

CAS Number

1217616-62-0

Molecular Formula

C25 D5 H27 N2 O4

Molecular Weight

429.563

Accurate Mass

429.268

SMILES

[2H]c1c([2H])c([2H])c(C[C@@H](CN2CC[C@](C)([C@@H](C)C2)c3cccc(O)c3)C(=O)NCC(=O)O)c([2H])c1[2H]

InChI

InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1/i3D,4D,5D,7D,8D

IUPAC

2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl]-3-(2,3,4,5,6-pentadeuteriophenyl)propanoyl]amino]acetic acid

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat