Metofenazate difumarate

Base Information

• Chemical Name: Metofenazate difumarate
• CAS No.: 522-23-6
• Molecular Formula: C31H36ClN3O5S•C8H4O8
• Molecular Weight: 826.33
• UNII: 2A3RCX7T4J
• Wikidata: Q27254466
• Mol file: 522-23-6.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 difumarate

Chemical Property:

• Vapor Pressure: 3.77E-19mmHg at 25°C
• Boiling Point: 694.7°Cat760mmHg
• Flash Point: 374°C
• PSA: 238.21000
• Density: 1.248g/cm³
• LogP: 5.19760
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 16
• Exact Mass: 829.2283373
• Heavy Atom Count: 57
• Complexity: 926

Purity/Quality:

99% ^*data from raw suppliers

MetofenazateFumarate ^*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.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=C(SC5=CC=CC=C35)C=CC(=C4)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
• Uses: Metofenazate, is a novel phenothiazine antipsychotic agent. It has also been shown to have MDR1 inhibitory activity, which may serve as a basis of the development of an effective MDR1 inhibitor drug.