Almitrine

Base Information

• Chemical Name: Almitrine
• CAS No.: 27469-53-0
• Molecular Formula: C26H29F2N7
• Molecular Weight: 477.56
• European Community (EC) Number: 248-475-5
• UNII: 9A1222NBG4
• DSSTox Substance ID: DTXSID4057899
• Nikkaji Number: J10.730A
• Wikipedia: Almitrine
• Wikidata: Q4733858
• NCI Thesaurus Code: C74241
• Metabolomics Workbench ID: 43559
• ChEMBL ID: CHEMBL1183717
• Mol file: 27469-53-0.mol

Synonyms:Almitrine;Almitrine Bis(methanesulfonate);Almitrine Bismesylate;Almitrine Dimesylate;Almitrine Monomesylate;Monomesylate, Almitrine;Vectarion

Chemical Property of Almitrine

Chemical Property:

• Vapor Pressure: 1.21E-14mmHg at 25°C
• Melting Point: 181°
• Refractive Index: 1.633
• Boiling Point: 606.2 °C at 760 mmHg
• Flash Point: 320.4 °C
• PSA: 69.21000
• Density: 1.262 g/cm³
• LogP: 4.40610
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 10
• Exact Mass: 477.24525028
• Heavy Atom Count: 35
• Complexity: 602

Purity/Quality:

98%,99%, ^*data from raw suppliers

Almitrine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCNC1=NC(=NC(=N1)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)NCC=C
• Recent ClinicalTrials: Efficacy of Intravenous Almitrine in Reducing the Need for Mechanical Ventilation in Patients With Hypoxemic Acute Respiratory Failure Due to Covid-19-related Pneumonia
• Therapeutic Function: Respiratory stimulant

Technology Process of Almitrine

There total 2 articles about Almitrine 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:

2-chloro-4.6-bis(2-propenylamino)-1,3,5-triazine (15468-86-7) + 1-(4-fluorophenyl)methyl-piperazine (27469-60-9) → almitrine (27469-53-0)

Guidance literature:

With potassium carbonate; potassium iodide; In butan-1-ol; for 8h; Heating;

DOI:10.1021/jm00091a017

Reference yield:

→ almitrine (27469-53-0)

Guidance literature:

2,4-Bis-(allylamino)-2-chlor-s-triazin, entspr. Piperazin;

upstream raw materials:

2-chloro-4.6-bis(2-propenylamino)-1,3,5-triazine

1-(4-fluorophenyl)methyl-piperazine

Refernces