Methylnaltrexone

Base Information

• Chemical Name: Methylnaltrexone
• CAS No.: 83387-25-1
• Deprecated CAS: 1356447-13-6
• Molecular Formula: C₂₁H₂₆NO₄
• Molecular Weight: 356.442
• DSSTox Substance ID: DTXSID20873339
• Nikkaji Number: J607.319K
• Wikipedia: Methylnaltrexone
• Wikidata: Q411515
• NCI Thesaurus Code: C48403
• RXCUI: 29899
• Pharos Ligand ID: ANPB4A3ZA471
• Metabolomics Workbench ID: 155622
• ChEMBL ID: CHEMBL1186579
• Mol file: 83387-25-1.mol

Synonyms:(5alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-17-methyl-4,5-epoxymorphinan-17-ium-6-one;17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinanium-6-one;methyl-naltrexone hydrobromide;methylnaltrexone;methylnaltrexone bromide;morphinan-17-ium-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-, (5alpha)-;morphinan-17-ium-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-, bromide, (5alpha,17R)-;morphinanium, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-17-methyl-6-oxo-, (5alpha)-;MRZ 2663BR;MRZ-2663;N-methylnaltrexone bromide;naltrexone MB;naltrexone methobromide;naltrexone methylbromide;naltrexonium methiodide;quaternary ammonium naltrexone;relistor

Chemical Property of Methylnaltrexone

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 66.76000
• Density: g/cm³
• LogP: 1.62880
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 356.18618331
• Heavy Atom Count: 26
• Complexity: 664

Purity/Quality:

99% ^*data from raw suppliers

METHYLNALTREXONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6
• Isomeric SMILES: C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6
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Technology Process of Methylnaltrexone

There total 1 articles about Methylnaltrexone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ C21H26NO4(1+) (83387-25-1)

Guidance literature:

entspr. Cyclopropylmethylamin, CH3Br;

Refernces