59413-14-8
中文名称
已酮可可碱杂质4
英文名称
1-(3-Hydroxypropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
CAS
59413-14-8
分子式
C10H14N4O3
分子量
238.24
MOL 文件
59413-14-8.mol
更新日期
2025/05/05 22:22:30
59413-14-8 结构式
基本信息
中文别名
已酮可可碱杂质4己酮可可碱EP杂质D
己酮可可碱杂质D (EP)
己酮可可碱杂质4(己酮可可碱EP杂质D)
英文别名
Pentoxifylline Impurity DPentoxifylline EP impurity D
1-(3-Hydroxypropyl)theobromine
1-(3-hydroxypropyl)-3,7-dimethylpurine-2,6-dione
Pentoxifylline Impurity 4（Pentoxifylline EP Impurity D）
1-(3-Hydroxypropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
1H-Purine-2,6-dione, 3,7-dihydro-1-(3-hydroxypropyl)-3,7-dimethyl-
1-(3-Hydroxypropyl)-3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
所属类别
分析化学：对照品物理化学性质
熔点142-142.5 °C(Solv: methanol (67-56-1))
沸点380.84°C (rough estimate)
密度1.2560 (rough estimate)
折射率1.6200 (estimate)
储存条件Refrigerator
溶解度DMSO (Slightly), Methanol (Slightly)
酸度系数(pKa)14.88±0.10(Predicted)
形态Solid
颜色White to Off-White
InChIInChI=1S/C10H14N4O3/c1-12-6-11-8-7(12)9(16)14(4-3-5-15)10(17)13(8)2/h6,15H,3-5H2,1-2H3
InChIKeyGHGVDQNEKGZLPE-UHFFFAOYSA-N
SMILESN1(C)C2=C(N(C)C(=O)N(CCCO)C2=O)N=C1