59413-14-8
中文名稱
已酮可可堿雜質(zhì)4
英文名稱
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
2026/07/16 17:37:58
59413-14-8 結(jié)構(gòu)式
基本信息
中文別名
已酮可可堿雜質(zhì)4己酮可可堿EP雜質(zhì)D
己酮可可堿雜質(zhì)D (EP)
己酮可可堿雜質(zhì)4(己酮可可堿EP雜質(zhì)D)
英文別名
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
所屬類別
分析化學(xué)：對照品物理化學(xué)性質(zhì)
熔點142-142.5 °C(Solv: methanol (67-56-1))
沸點380.84°C (rough estimate)
密度1.2560 (rough estimate)
折射率1.6200 (estimate)
儲存條件Refrigerator
溶解度DMSO (Slightly), Methanol (Slightly)
酸度系數(shù)(pKa)14.88±0.10(Predicted)
形態(tài)Solid
顏色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