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492

来源：花匠小妙招时间：2025-01-14 03:29

野决明定结构式图片|492-02-4结构式图片

中文名称：野决明定

英文名称： CC4

CAS No.： 492-02-4

分子式： C24H30N4O2

分子量： 406.52

如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击：野决明定结构式

名称和标识符

MDLMFCD26961123InChIKeyLEXDAVFCJPDCNA-VCAKUFKGSA-NInchi1S/C24H30N4O2/c29-23-5-1-3-21-19-9-17(13-27(21)23)11-25(15-19)7-8-26-12-18-10-20(16-26)22-4-2-6-24(30)28(22)14-18/h1-6,17-20H,7-16H2/t17-,18-,19?,20?/m0/s1SMILESO=C1C=CC=C2C3CN(CCN4CC5C6=CC=CC(N6C[C@H](C4)C5)=O)C[C@@H](CN21)C3

别名信息

- 英文别名 -

CC4(1R,5S)-1,2,3,4,5,6-Hexahydro-3-[2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]-1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one1,2-BisN-cytisinylethaneAOB1258CID 91885396Thermopsidine1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-[2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]-, (1R,5S)-CC4 >=98% (HPLC)DTXSID801099002DTXSID801099002Solvent Blue 38 (Technical Grade)Solvent Blue 38 (Technical Grade)(1R,5S)-1,2,3,4,5,6-Hexahydro-3-[2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-one(1R,5S)-1,2,3,4,5,6-Hexahydro-3-[2-[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]ethyl]-1,5-methano-8H-pyrido[1,2-a][1,5]diazocin-8-oneEN300-19960839EN300-19960839Z3244397782Z3244397782AKOS025142064AKOS025142064(1R,9S)-11-{2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl]ethyl}-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one(1R,9S)-11-{2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl]ethyl}-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-oneCHEMBL4303499CHEMBL4303499(1R,9S)-11-[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one(1R,9S)-11-[2-[(1R,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]ethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one492-02-4492-02-4Direct Blue 86Direct Emerald Blue GLDirect Fast Blue L 7VDirect Fast TurquoiseDirect Blue 86Direct Emerald Blue GLDirect Fast Blue L 7VDirect Fast Turquoise

物化性质

实验特性

溶解度H2O: soluble5mg/mL, clear (warmed)颜色与性状Powder

计算特性

精确分子量406.23687621g/mol精确分子量406.23687621g/mol氢键供体数量0氢键受体数量4可旋转化学键数量3同位素质量406.23687621g/mol同位素质量406.23687621g/mol重原子数量30复杂度816同位素原子数量0同位素原子数量0确定原子立构中心数量4确定原子立构中心数量4不确定原子立构中心数量0不确定原子立构中心数量0确定化学键立构中心数量0确定化学键立构中心数量0不确定化学键立构中心数量0不确定化学键立构中心数量0共价键单元数量1共价键单元数量1疏水参数计算参考值（XlogP）1.1疏水参数计算参考值（XlogP）1.1拓扑分子极性表面积47.1