Phenadoxone hydrochloride

Base Information

• Chemical Name: Phenadoxone hydrochloride
• CAS No.: 545-91-5
• Molecular Formula: C₂₃H₂₉NO₂*ClH
• Molecular Weight: 387.95
• European Community (EC) Number: 208-895-1
• UNII: JPI3X77W99,SPU2L6B8L8,SX58ZM5M5J
• DSSTox Substance ID: DTXSID00969688
• Wikidata: Q62086730
• Mol file: 545-91-5.mol

Synonyms:Hepagin;Heptalgin;Supralgin;Phenadoxone hydrochloride;Heptazone hydrochloride;Morphodone hydrochloride;Hoechst 10600;Phenadoxone HCl;CB 11;SX58ZM5M5J;545-91-5;Phenadoxone hydrochloride, (-)-;EINECS 208-895-1;UNII-SX58ZM5M5J;UNII-JPI3X77W99;4,4-Diphenyl-6-morpholino-3-heptanone hydrochloride;JPI3X77W99;3-Heptanone, 6-morpholino-4,4-diphenyl-, hydrochloride;3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-, hydrochloride;3-Heptanone, 6-morpholino-4,4-diphenyl-, hydrochloride, (-)-;3-Heptanone, 6-(4-morpholinyl)-4,4-diphenyl-, hydrochloride, (-)-;20874-24-2;Heptone;3-HEPTANONE, 4,4-DIPHENYL-6-MORPHOLINO-, HYDROCHLORIDE;SPU2L6B8L8;C23H29NO2.ClH;HOECHST-10600;SCHEMBL2032631;6-(N-Morpholino)-4,4-diphenyl-3-heptanone Hydrochloride;6-Tetrahydrooxazine-4,4-diphenyl-3-heptanone Hydrochloride;DTXSID00969688;CB-11;PHENADOXONE HYDROCHLORIDE [MI];PHENADOXONE HYDROCHLORIDE, (+)-;LS-74501;6-morpholino-4,4-di-phenyl-3-heptanone hydrochloride;Q62086730;6-(Morpholin-4-yl)-4,4-diphenylheptan-3-one--hydrogen chloride (1/1);3-HEPTANONE, 6-(4-MORPHOLINYL)-4,4-DIPHENYL-, HYDROCHLORIDE (1:1);3-HEPTANONE, 6-(4-MORPHOLINYL)-4,4-DIPHENYL-, HYDROCHLORIDE, (+)-

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Phenadoxone hydrochloride

Chemical Property:

• Vapor Pressure: 3.83E-10mmHg at 25°C
• Melting Point: 224-225° (some decompn)
• Boiling Point: 500.3°C at 760 mmHg
• PKA: pKa (25°): 6.7 in 40% alcohol
• Flash Point: 256.4°C
• PSA: 29.54000
• LogP: 4.80250
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 387.1965069
• Heavy Atom Count: 27
• Complexity: 414

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• Uses: A synthetic opioid analgesic. Controlled Substance.

Technology Process of Phenadoxone hydrochloride

There total 1 articles about Phenadoxone hydrochloride 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:

→ (+/-)-6-morpholino-4,4-diphenyl-heptan-3-one; hydrochloride (545-91-5,20874-24-2)

Guidance literature:

Reference yield:

(+/-)-6-morpholino-4,4-diphenyl-heptan-3-one; hydrochloride (545-91-5,20874-24-2) → 6-morpholino-4,4-diphenyl-heptan-3-ol

Guidance literature:

With water; platinum; isomer(ic) II; Hydrogenation;

DOI:10.1021/ja01169a016

Refernces