Basic information
- CAS
70788-27-1- Standard SMILES
Cn1c(=O)c2c(ncn2CC(=O)OCC(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O- InChIKey
ICVMNUSJJHSLLM-UHFFFAOYSA-N- Molecular formula
- C19H21ClN4O5
- Average molar mass
- 420.8 g/mol
- Monoisotopic mass
- 420.1200475
Overview
Acefylline clofibrol is a small molecule drug. The usage of the INN stem '-fylline' in the name indicates that Acefylline clofibrol is a N-methylated xanthine derivative. Acefylline clofibrol has a monoisotopic molecular weight of 420.12 Da.
Names & identifiers
- Preferred name
- 2-(4-Chlorophenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
- IUPAC
- [2-(4-chlorophenoxy)-2-methylpropyl] 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate
- English name
- AcefyllineClofibrol
- Molecular formula
- C19H21ClN4O5
- Molecular weight
- 420.85
Names & synonyms
Acefylline clofibrolAcefilina clofibrolAcefyllinum clofibrolum70788-27-1WY672D78VWDTXSID60221052RefChem:1061191DTXCID601435432-(4-Chlorophenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetateAcefylline clofibrol [INN]2-(p-Chlorophenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurine-7-acetateAcetylline clofibrol
Show more names
FifrafyllineFibrafyllineAcefyllineClofibrol1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid 2-(4-chlorophenoxy)-2-methylpropyl ester7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-, 2-(4-chlorophenoxy)-2-methylpropyl ester
Acefilina clofibrol [INN-Spanish]Acefyllinum clofibrolum [INN-Latin]UNII-WY672D78VWTheophylline-7-acetate de 2-(p-chlorophenoxy)-2-methylpropyle [French]2-(4-Chlorphenoxy)-2-methylpropyl 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7-purinylacetatSCHEMBL2110473CHEMBL2104056Theophylline-7-acetate de 2-(p-chlorophenoxy)-2-methylpropyle
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 653
Physicochemical properties
- FDA UNII
- 672 D78VW · WY672D78VW
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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