Denufosol

Base Information

• Chemical Name: Denufosol
• CAS No.: 318250-11-2
• Molecular Formula: C18H27 N5 O21 P4 . 4 Na
• Molecular Weight: 861.2502
• European Community (EC) Number: 620-532-2
• UNII: 5PC250KSSH
• DSSTox Substance ID: DTXSID50870235
• Nikkaji Number: J2.522.771I
• Wikipedia: Denufosol
• Wikidata: Q908026
• NCI Thesaurus Code: C78118
• Pharos Ligand ID: YNAM662VP4XJ
• Metabolomics Workbench ID: 149365
• ChEMBL ID: CHEMBL507282
• Mol file: 318250-11-2.mol

Synonyms:denufosol tetrasodium;INS 37217;INS37217;P(1)-(uridine 5')-P(4)- (2'-deoxycytidine 5')tetraphosphate, tetrasodium salt

Chemical Property of Denufosol

Chemical Property:

• PSA: 442.08000
• LogP: -0.36460
• XLogP3: -8.4
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 14
• Exact Mass: 773.01490088
• Heavy Atom Count: 48
• Complexity: 1590

Purity/Quality:

97% ^*data from raw suppliers

Denufosol tetrasodium NEW ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O
• Isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O
• Recent ClinicalTrials: A Study in Subjects With Perennial Allergic Rhinitis
• Uses: Treatment of rhinitis, URI and lung disease, cystic fibrosis, retinal detachment and edema. Denufosol Tetrasodium is used in preparation method of Denufosol Tetrasodium.