Pimefylline

Base Information

• Chemical Name: Pimefylline
• CAS No.: 10001-43-1
• Molecular Formula: C15H18 N6 O2
• Molecular Weight: 314.347
• Hs Code.: 2933990090
• European Community (EC) Number: 600-017-9
• UNII: 8680B5Y37A
• DSSTox Substance ID: DTXSID30142861
• Nikkaji Number: J8.972I
• Wikidata: Q27269712
• NCI Thesaurus Code: C66384
• ChEMBL ID: CHEMBL2105195
• Mol file: 10001-43-1.mol

Synonyms:7-(2-(3-pyridylmethylamino)-ethyl)theophylline;pimefyllin;pimephylline nicotinate;Teonicon

Chemical Property of Pimefylline

Chemical Property:

• Vapor Pressure: 3E-13mmHg at 25°C
• Melting Point: 111-112°
• Boiling Point: 575.6°Cat760mmHg
• Flash Point: 301.9°C
• PSA: 86.74000
• Density: 1.37g/cm³
• LogP: 0.00940
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 314.14912384
• Heavy Atom Count: 23
• Complexity: 459

Purity/Quality:

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

PIMEFYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CN=CC=C3
• Therapeutic Function: Coronary vasodilator