Butocin

Base Information

• Chemical Name: Butocin
• CAS No.: 22181-94-8
• Molecular Formula: C14H19 N5 O3 S
• Molecular Weight: 337.403
• Hs Code.: 2933990090
• European Community (EC) Number: 244-821-4
• NSC Number: 172755
• UNII: 523O15TF2E
• DSSTox Substance ID: DTXSID80944832
• Nikkaji Number: J22.261E
• Wikidata: Q27260958
• NCI Thesaurus Code: C1030
• ChEMBL ID: CHEMBL446088
• Mol file: 22181-94-8.mol

Synonyms:butocin;butocine;butoglycine;N-(5-(6-purinylthio)valeryl)glycine ethyl ester;NSC-172755

Chemical Property of Butocin

Chemical Property:

• Boiling Point: 646.2°Cat760mmHg
• Flash Point: 344.6°C
• PSA: 135.16000
• Density: 1.34g/cm³
• LogP: 1.68550
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 337.12086066
• Heavy Atom Count: 23
• Complexity: 399

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CNC(=O)CCCCSC1=NC=NC2=C1NC=N2

Technology Process of Butocin

There total 1 articles about Butocin 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:

→ N-[5-(7(9)H-purin-6-ylsulfanyl)-pentanoyl]-glycine ethyl ester (22181-94-8)

Guidance literature:

6-Mercaptopurin,N-(δ-Bromvaleryl)glycinethylester XI;