Heptaminol salt of monosuccinate ester of 7-hydroxyethyltheophylline

Base Information

• Chemical Name: Heptaminol salt of monosuccinate ester of 7-hydroxyethyltheophylline
• CAS No.: 80440-70-6
• Molecular Formula: C21H35N5O7
• Molecular Weight: 469.5319
• DSSTox Substance ID: DTXSID901001240
• Mol file: 80440-70-6.mol

Synonyms:Heptaminol salt of monosuccinate ester of 7-hydroxyethyltheophylline;Sel d'heptaminol du mono ester succinique de l'hydroxyethyl-7 theophylline [French];80440-70-6;7-hydroxyethyltheophylline monosuccinate ester heptaminol salt;Sel d'heptaminol du mono ester succinique de l'hydroxyethyl-7 theophylline;DTXSID901001240;C13H16N4O6.C8H19NO;LS-45768;C13-H16-N4-O6.C8-H19-N-O;4-[2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)ethoxy]-4-oxobutanoic acid--6-amino-2-methylheptan-2-ol (1/1)

Chemical Property of Heptaminol salt of monosuccinate ester of 7-hydroxyethyltheophylline

Chemical Property:

• Vapor Pressure: 9.85E-17mmHg at 25°C
• Boiling Point: 629.9°Cat760mmHg
• Flash Point: 334.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 469.25364847
• Heavy Atom Count: 33
• Complexity: 616

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCCC(C)(C)O)N.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)CCC(=O)O