Catalog Number:
AG009C8X
Chemical Name:
Alvimopan monohydrate
CAS Number:
1383577-62-5
Molecular Formula:
C25H34N2O5
Molecular Weight:
442.5479
MDL Number:
MFCD00927248
IUPAC Name:
2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid;hydrate
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
InChI Key:
XSTFUWQLHMJPFG-NABRLNOVSA-N
SMILES:
OC(=O)CNC(=O)C(Cc1ccccc1)CN1CCC(C(C1)C)(C)c1cccc(c1)O.O
UNII:
28LAR2REDG
