Nafadotride

Base Information

• Chemical Name: Nafadotride
• CAS No.: 149649-22-9
• Molecular Formula: C₂₂H₂₇N₃O₂
• Molecular Weight: 365.475
• DSSTox Substance ID: DTXSID1042603
• Wikipedia: Nafadotride
• Wikidata: Q6958145
• Pharos Ligand ID: BM14CDSP2NDB
• Metabolomics Workbench ID: 63222
• ChEMBL ID: CHEMBL286252
• Mol file: 149649-22-9.mol

Synonyms:N-(((2s)-1-butylpyrrolidin-2-yl)methyl)-4-cyano-1-methoxy-2-naphthamide;N-((n-butyl-2-pyrrolidinyl)methyl)-1-methoxy-4-cyanonaphthalene-2-carboxamide;nafadotride

Chemical Property of Nafadotride

Chemical Property:

• Vapor Pressure: 2.01E-12mmHg at 25°C
• Refractive Index: 1.603
• Boiling Point: 556.6°Cat760mmHg
• PKA: 12.84±0.46(Predicted)
• Flash Point: 290.4°C
• PSA: 65.36000
• Density: 1.17g/cm³
• LogP: 4.04318
• Storage Temp.: Desiccate at RT
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 365.21032711
• Heavy Atom Count: 27
• Complexity: 543

Purity/Quality:

98%Min ^*data from raw suppliers

Nafadotride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCN1CCCC1CNC(=O)C2=C(C3=CC=CC=C3C(=C2)C#N)OC
• Uses: Nafadotride is a highly potent and competitive dopamine D3 receptor (D3R) antagonist.

Technology Process of Nafadotride

There total 1 articles about Nafadotride 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:

→ triethylamine hydrochloride (554-68-7) + (+/-)-Nafadotride (173429-65-7,149649-22-9)

Guidance literature:

Refernces