Nombre del analito

Alvimopan-d7 Hydrate

Fórmula molecular

C25 D7 H25 N2 O4 . H2 O

Peso molecular

449.591

Masa exacta

449.291

SMILES

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

InChI

InChI=1S/C25H32N2O4.H2O/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);1H2/t18-,20-,25+;/m0./s1/i3D,4D,5D,7D,8D,13D2;

IUPAC

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

Tipo SIL

Deuterium

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat