Entereg

Base Information

• Chemical Name: Entereg
• CAS No.: 170098-38-1
• Molecular Formula: C25H32N2O4^.2H2O
• Molecular Weight: 460.57
• European Community (EC) Number: 814-137-6
• UNII: 677C126AET
• DSSTox Substance ID: DTXSID40168794
• NCI Thesaurus Code: C49096
• RXCUI: 480639
• Mol file: 170098-38-1.mol

Synonyms:ADL 8-2698;ADL8-2698;alvimopan;alvimopan anhydrous;anhydrous alvimopan;Entereg;LY 246736;LY-246736;LY246736;trans-3,4-dimethyl-4-(3-hydroxyphenyl) piperidine

Chemical Property of Entereg

Chemical Property:

• Vapor Pressure: 1.18E-19mmHg at 25°C
• Melting Point: 210-213oC
• Refractive Index: 1.572
• Boiling Point: 684.1 °C at 760 mmHg
• Flash Point: 367.5 °C
• PSA: 108.33000
• Density: 1.166g/cm3
• LogP: 3.25160
• Storage Temp.: 2-8°C
• Solubility.: Soluble in DMSO
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 460.25733687
• Heavy Atom Count: 33
• Complexity: 606

Purity/Quality:

98% ^*data from raw suppliers

2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoyl]amino]aceticaciddihydrate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
• Isomeric SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
• Recent ClinicalTrials: Entereg Laparoscopic Colon Resection Study
• Recent EU Clinical Trials: A Double-Blind, Placebo-Controlled, Multicenter Phase IIb Extension Study to Evaluate the Safety and Efficacy of Multiple Alvimopan Dosage Regimens for the Treatment of Opioid-Induced Bowel Dysfunction in Cancer Pain Subjects.
• Description: Alvimopan is a μ-opioid receptor antagonist approved in the U.S. in May 2008 for the treatment of post-operative ileus (POI) – a temporary dysfunction of the gastrointestines. Alvimopan does not penetrate the central nervous system (CNS) and acts as a peripheral antagonist. The molecule inhibits the negative effects of opioids on the gastrointestinal (GI) system without inhibiting the desired analgesic effects of CNS penetrant opioids.
• Uses: Treatment of opioid-induced bowel dysfunction, opioidinduced nausea and vomiting, postoperative ileus, idiopathic constipation, and irritable bowel syndrome (peripherally restricted mu opioid receptor antagonist).