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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H32N2O4.H2O
Molecular Weight 442.5479
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALVIMOPAN MONOHYDRATE

SMILES

O.C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C3=CC=CC(O)=C3

InChI

InChIKey=XSTFUWQLHMJPFG-NABRLNOVSA-N
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

HIDE SMILES / InChI

Approval Year

Name Type Language
ALVIMOPAN MONOHYDRATE
Common Name English
(((2S)-2-(((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL)METHYL)-3-PHENYLPROPANOYL)AMINO)ACETIC ACID MONOHYDRATE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30160641
Created by admin on Sat Dec 16 01:30:17 UTC 2023 , Edited by admin on Sat Dec 16 01:30:17 UTC 2023
PRIMARY
PUBCHEM
71587995
Created by admin on Sat Dec 16 01:30:17 UTC 2023 , Edited by admin on Sat Dec 16 01:30:17 UTC 2023
PRIMARY
CAS
1383577-62-5
Created by admin on Sat Dec 16 01:30:17 UTC 2023 , Edited by admin on Sat Dec 16 01:30:17 UTC 2023
PRIMARY
FDA UNII
28LAR2REDG
Created by admin on Sat Dec 16 01:30:17 UTC 2023 , Edited by admin on Sat Dec 16 01:30:17 UTC 2023
PRIMARY