Dimabefylline
Basic information
- CAS
1703-48-6- Standard SMILES
CN(C)c1ccc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1- InChIKey
VUCZRCBQVXTIIV-UHFFFAOYSA-N- Molecular formula
- C16H19N5O2
- Average molar mass
- 313.35 g/mol
- Monoisotopic mass
- 313.15387487
Overview
Dimabefylline is a small molecule drug. The usage of the INN stem '-fylline' in the name indicates that Dimabefylline is a N-methylated xanthine derivative. Dimabefylline has a monoisotopic molecular weight of 313.15 Da.
Names & identifiers
- Preferred name
- Dimabefylline
- IUPAC
- 7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione
- English name
- Dimabefylline
- Molecular formula
- C16H19N5O2
- Molecular weight
- 313.35
Names & synonyms
Dimabefylline1703-48-6DimabefilinaDimabefylline [INN:DCF]DimabefyllinumDimabefilina [INN-Spanish]Dimabefyllinum [INN-Latin]7-(p-(Dimethylamino)benzyl)theophyllineUNII-L6V4Z7SX7SL6V4Z7SX7SBRN 11602957-(p-Dimethylaminobenzyl)-1,3-dimethylxanthine
Show more names
LJ-2787-[4-(dimethylamino)benzyl]-1,3-dimethyl-xanthine7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethylpurine-2,6-dione7-[[4-(dimethylamino)phenyl]methyl]-1,3-dimethyl-purine-2,6-dione7-(4-(Dimethylamino)benzyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione1,3-dimethyl-7-(4-dimethylamino-benzyl)-3,7-dihydro-purine-2,6-dione3,7-Dihydro-1,3-dimethyl-7-[p-(dimethylamino)benzyl]-1H-purine-2,6-dione3,7-Dihydro-1,3-dimethyl-7-[4-(dimethylamino)benzyl]-1H-purine-2,6-dione1H-Purine-2,6-dione, 7-[[4-(dimethylamino)phenyl]methyl]-3,7-dihydro-1,3-dimethyl-
DIMABEFYLLINE [INN]Theophylline, 7-(p-(dimethylamino)benzyl)-DTXSID601688377-(4-Dimethylaminobenzyl)-1,3-dimethyl-2,6(1H,3H)-purindion7-(4-Dimethylaminobenzyl)-1,3-dimethyl-2,6(1H,3H)-purindion [IUPAC]Dimabefilina (INN-Spanish)Dimabefyllinum (INN-Latin)7-(4-Dimethylaminobenzyl)-1,3-dimethyl-2,6(1H,3H)-purindion (IUPAC)
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 475
Physicochemical properties
- FDA UNII
- 6 V4Z7SX7S · L6V4Z7SX7S
Chemistry & industry
Applications
UsesDimabefylline is an antimicrobial compound[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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