甲基 4-(3-{6-氨基-9-[(2R,5S)-5-(乙基氨基甲酰)-3,4-二羟基四氢呋喃-2-基]-9H-嘌呤-2-基}丙-2-炔-1-基)环己羧酸酯 (non-preferred name)

CAS号
250386-15-3
CCD编号
CCD04012094
分子式
C23 H30 N6 O6
分子量
486.526

基本信息

产品名称: 甲基 4-(3-{6-氨基-9-[(2R,5S)-5-(乙基氨基甲酰)-3,4-二羟基四氢呋喃-2-基]-9H-嘌呤-2-基}丙-2-炔-1-基)环己羧酸酯 (non-preferred name)
CAS: 250386-15-3
中文同义词: 甲基 4-(3-{6-氨基-9-[(2R,5S)-5-(乙基氨基甲酰)-3,4-二羟基四氢呋喃-2-基]-9H-嘌呤-2-基}丙-2-炔-1-基)环己羧酸酯 (non-preferred name)
英文同义词: APADENOSON
MDL号: MFCD18252457
氢键受体数量: 12
氢键供体数量: 4
Smile: CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3N)C#CC[C@@H]4CC[C@H](CC4)C(=O)OC)O)O
InChi: InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1
InChiKey: InChIKey=FLEVIENZILQUKB-XTWQNQIISA-N

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