HCID126079

8-(4-Carboxymethyloxy)phenyl-1,3-dipropylxanthine

2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid

C19H22N4O5386.4 g/molCAS 96865-83-7

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)nc2n(CCC)c1=O
InChIKey: QTMMGCYGCFXBFI-UHFFFAOYSA-N
分子式: C19H22N4O5
平均分子量: 386.4 g/mol
单同位素质量: 386.15901982

COMPUTED

结构计算性质

等待补全

XLogP: 3.9
极性表面积: 116 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 8
重原子: 28
形式电荷: 0
复杂度: 593

物化、安全与法规信息正在同步。

ALIASES

名称与别名

共 41 条

96865-83-78-(4-Carboxymethyloxy)phenyl-1,3-dipropylxanthineRefChem:106833XCC2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetic acid2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetic acid[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,9-tetrahydro-1H-purin-8-yl)phenoxy]acetic acidCHEMBL27041MFCD196909562-[4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-aceticacid2-[4-(2,6-Dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy]acetic AcidPDSP1_0003152-[4-(2,3,6,7-Tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)phenoxy]-acetic acidGTPL451orb1703915SCHEMBL7235224DTXSID20914271BDBM50008405PDSP1_001254PDSP2_000313

REACTIONS

参与反应

1 条

uspto-grants-1986_09 · 10.6084/m9.figshare.5104873.v1 · US04612315

查看