136199-02-5
中文名称
1,3-二丙基-8-(3-正金刚烷基)黄嘌呤
英文名称
1,3-dipropyl-8-(3-noradamantyl)xanthine
CAS
136199-02-5
分子式
C20H28N4O2
分子量
356.46
MOL 文件
136199-02-5.mol
更新日期
2026/01/26 09:21:47
136199-02-5 结构式
基本信息
中文别名
1,3-二丙基-8-(3-正金刚烷基)黄嘌呤 英文别名
MK-7418KW-3902
HMR-4902
Rolofylline
KW-3902 >=98% (HPLC)
1,3-dipropyl-8-(3-noradamantyl)xanthine
8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1,3-dipropyl-
物理化学性质
沸点578.0±42.0 °C(Predicted)
密度1.262±0.06 g/cm3(Predicted)
储存条件2-8°C
溶解度DMSO：可溶，20mg/mL
酸度系数(pKa)9.23±0.70(Predicted)
形态固体
颜色White to off-white
InChI1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)/t12-,13+,14-,20-
InChIKeyPJBFVWGQFLYWCB-OYEQCZOJSA-N
SMILESCCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@]34C[C@H]5C[C@H](C[C@@H]3C5)C4
