Nalmexone hydrochloride

Base Information

• Chemical Name: Nalmexone hydrochloride
• CAS No.: 16676-27-0
• Deprecated CAS: 16291-05-7
• Molecular Formula: C21H25 N O4 . Cl H
• Molecular Weight: 391.88844
• UNII: 5R6J4YZX5O
• DSSTox Substance ID: DTXSID40168173
• Wikidata: Q27262771
• NCI Thesaurus Code: C83979
• ChEMBL ID: CHEMBL2107623
• Mol file: 16676-27-0.mol

Synonyms:Nalmexone hydrochloride;Nalmexone HCl;16676-27-0;Nalmexone hydrochloride [USAN];EN-1620A;UNII-5R6J4YZX5O;5R6J4YZX5O;EN 1620A;Nalmexone hydrochloride (USAN);7,8-Dihydro-14-hydroxy-N-(3-methyl-2-butenyl)normorphinone hydrochloride;4,5alpha-Epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)morphinan-6-one hydrochloride;4,5alpha-Epoxy-3,14-dihydroxy-N-(3-methyl-2-butenyl)-6-morphinanon hydrochlorid;(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(3-methylbut-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride;Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)-, hydrochloride, (5.alpha.)-;SCHEMBL122410;CHEMBL2107623;DTXSID40168173;D05112;Q27262771;Morphinan-6-one, 4,5.alpha.-epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)-, hydrochloride;Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)-, hydrochloride, (5alpha)-;Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(3-methyl-2-butenyl)-. (5alpha)-, monohydrochloride

Chemical Property of Nalmexone hydrochloride

Chemical Property:

• Vapor Pressure: 5.96E-13mmHg at 25°C
• Boiling Point: 550.5°Cat760mmHg
• Flash Point: 286.7°C
• PSA: 70.00000
• Density: 1.37g/cm³
• LogP: 2.82150
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 391.1550360
• Heavy Atom Count: 27
• Complexity: 658

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)C.Cl
• Isomeric SMILES: CC(=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)C.Cl