Metofenazate

Base Information

• Chemical Name: Metofenazate
• CAS No.: 388-51-2
• Molecular Formula: C31H36 Cl N3 O5 S
• Molecular Weight: 598.163
• UNII: 27J5OW8OGT
• DSSTox Substance ID: DTXSID50192065
• Nikkaji Number: J5.716I
• Wikidata: Q4492673
• NCI Thesaurus Code: C66132
• Metabolomics Workbench ID: 60411
• ChEMBL ID: CHEMBL2105229
• Mol file: 388-51-2.mol

Synonyms:2-(4-(3-(2-chlorophenothiazin-10-yl)-propyl)-1- piperazinyl)-ethyl-3,4,5-trimethoxybenzoate;Frenolone;methophenazine;metofenazate;metofenazate difumarate;perphenazintrimethoxybenzoate;Phrenolon

Chemical Property of Metofenazate

Chemical Property:

• Vapor Pressure: 3.77E-19mmHg at 25°C
• Melting Point: 102-107°
• Boiling Point: 694.7°C at 760 mmHg
• PKA: 7.32±0.10(Predicted)
• Flash Point: 374°C
• PSA: 89.01000
• Density: 1.248g/cm³
• LogP: 5.77400
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 12
• Exact Mass: 597.2064201
• Heavy Atom Count: 41
• Complexity: 807

Purity/Quality:

98%Min ^*data from raw suppliers

Metofenazate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

Technology Process of Metofenazate

There total 1 articles about Metofenazate 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:

→ metofenazate (388-51-2)

Guidance literature:

2-Chlor-10-(3-methansulfonyloxy-propyl)-phenothiazin, 3,4,5-Trimethoxy-benzoesaeure-(2-piperazino-ethylester), in abs. EtOH (20grad, 2 Wochen);