Spirofylline

Base Information

• Chemical Name: Spirofylline
• CAS No.: 98204-48-9
• Molecular Formula: C24H28 N6 O5
• Molecular Weight: 480.52
• UNII: 000F949089
• DSSTox Substance ID: DTXSID60243512
• Wikidata: Q27231300
• NCI Thesaurus Code: C74214
• ChEMBL ID: CHEMBL2107296
• Mol file: 98204-48-9.mol

Synonyms:Spirofylline;98204-48-9;Spirofylline [INN];UNII-000F949089;000F949089;1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]purine-2,6-dione;8-Phenethyl-3-((1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl)-1-oxa-3,8-diazaspiro(4,5)decan-2-one;CHEMBL2107296;DTXSID60243512;AKOS040740920;HY-100250;CS-0018401;Q27231300

Chemical Property of Spirofylline

Chemical Property:

• Vapor Pressure: 3.26E-21mmHg at 25°C
• Boiling Point: 730.8°Cat760mmHg
• Flash Point: 395.8°C
• PSA: 111.67000
• Density: 1.43g/cm³
• LogP: 0.36560
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 480.21211801
• Heavy Atom Count: 35
• Complexity: 869

Purity/Quality:

99% ^*data from raw suppliers

SPIROFYLLINE 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)CC(=O)N3CC4(CCN(CC4)CCC5=CC=CC=C5)OC3=O
• Uses: Spirofylline, is a bronchodilator, which can be used to treat asthma and bronchitis and emphysema.

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