Elmustine

Base Information

• Chemical Name: Elmustine
• CAS No.: 60784-46-5
• Molecular Formula: C5H10 Cl N3 O3
• Molecular Weight: 195.606
• European Community (EC) Number: 262-429-1
• NSC Number: 294895
• UNII: NAT2FD82D7
• DSSTox Substance ID: DTXSID80209610
• Nikkaji Number: J1.097I
• Wikidata: Q27284767
• NCI Thesaurus Code: C73262
• ChEMBL ID: CHEMBL284907
• Mol file: 60784-46-5.mol

Synonyms:1-(2-chloroethyl)-1-nitroso-3-(2-hydroxyethyl)urea;1-(2-hydroxyethyl)-3-(2-chloroethyl)-3-nitrosourea;2-chloroethyl-1-nitrosureidoethanol;CNU-ethanol;elmustine;HECNU;NSC 29485

Chemical Property of Elmustine

Chemical Property:

• Melting Point: 56°C
• Refractive Index: 1.5810 (estimate)
• PSA: 82.00000
• Density: 1.45g/cm³
• LogP: 0.30140
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 195.0410689
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

95-99% ^*data from raw suppliers

Hemustine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CO)NC(=O)N(CCCl)N=O
• Uses: Hemustine is an inhibitor of human glutathione reductase and is also widely used as an antitumor agent.

Technology Process of Elmustine

There total 1 articles about Elmustine 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:

1,2,2,2-Tetrachloroethyl N-(2-chloroethyl) N-nitroso-carbamate (113900-20-2) + ethanolamine (141-43-5) → 1-(2-hydroxyethyl)-3-(2-chloroethyl)-3-nitroso urea (60784-46-5)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; for 2h; Yield given; Ambient temperature;

DOI:10.1055/s-1987-28160

upstream raw materials:

1,2,2,2-Tetrachloroethyl N-(2-chloroethyl) N-nitroso-carbamate

ethanolamine

Refernces