基本信息
- CAS
70788-27-1- 标准SMILES
Cn1c(=O)c2c(ncn2CC(=O)OCC(C)(C)Oc2ccc(Cl)cc2)n(C)c1=O- InChIKey
ICVMNUSJJHSLLM-UHFFFAOYSA-N- 分子式
- C19H21ClN4O5
- 平均分子量
- 420.8 g/mol
- 单同位素质量
- 420.1200475
概述
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.
名称与标识
- 首选名称
- 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
- 中文名
- 克醋茶碱
- 英文名
- AcefyllineClofibrol
- 分子式
- C19H21ClN4O5
- 分子量
- 420.85
名称与别名
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
展开更多名称
克醋茶碱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
性质
结构计算性质
- XLogP
- 2.5
- 极性表面积
- 94 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 7
- 重原子
- 29
- 形式电荷
- 0
- 复杂度
- 653
相关反应
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化合物笔记
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