CAS: 6871-44-9; 4-Ethylidene-1-Hydroxy-14-(Hydroxymethyl)-14-(Methoxycarbonyl)-6-Methyl-1,2,3,4,5,6,7,8-Octahydro-13H-3,8A-Methanoazepino[1',2':1,2]Pyrrolo[2,3-B]Indol-6-Ium

• 英文名称4-Ethylidene-1-Hydroxy-14-(Hydroxymethyl)-14-(Methoxycarbonyl)-6-Methyl-1,2,3,4,5,6,7,8-Octahydro-13H-3,8A-Methanoazepino[1',2':1,2]Pyrrolo[2,3-B]Indol-6-Ium
• 中文名称埃奇胺
• IUPAC名称4-ethylidene-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-1,2,3,4,5,6,7,8-octahydro-13H-3,8a-methanoazepino[1',2':1,2]pyrrolo[2,3-b]indol-6-ium
• 其它别名(16R)-3β,17-Dihydroxy-16-(Methoxycarbonyl)-4-Methyl-2,4(1H)-Cyclo-3,4-Secoakuammilan-4-Ium; (16R)-3β,17-Dihydroxy-16-Methoxycarbonyl-4-Methyl-2,4(1H)-Cyclo-3,4-Secoakuammilan-4-Ium; 2,4(1H)-Cyclo-3,4-Secoakuammilanium, 3,17-Dihydroxy-16-(Methoxycarbonyl)-4-Methyl-, (3.Beta.,16R)-; Echetamine Base; Echitamine; 2,4(1H)-Cyclo-3,4-Secoakuammilanium, 3,17-Dihydroxy-16-(Methoxycarbony L)-4-Methy; 13H-3,8A-Methano-1H-Azepino[1',2':1,2]Pyrrolo[2,3-B]Indolium,4-Ethylidene-2,3,4,5,7,8-Hexahydro-1-Hydroxy-14-(Hydroxymethyl)-14-(Methoxycarbonyl)-6-Methyl-,(1S,3S,4E,8As,13Ar,14R)-
• CAS编号6871-44-9
• MFCD编号:MFCD01939553
• EINECS号:229-968-4
• FDA UNII编号:OTH5TH48VK
• 分子式:C22H29N2O4分子量:385.48
• 产品CID: 1679918
• 同类组份化合物CAS464-20-0 (hydroxide)6871-44-9 (free)6878-36-0 (chloride)
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• InChIKey: AFJPGVUCVDCFPM-MLIPYVIESA-N
• InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1
• 计算化学: 氢键受体数5.0氢键供体数3.0可旋转键数3.0

物理性质

• 熔点206 °C
• 沸点524.62 °C (rough estimate)
• 密度1.2125 (rough estimate)
• PSA:78.79
• LogP:1.4857
• 折射率1.6300 (estimate)
• 溶解性Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
• 外观形态粉末
• 储存条件2-8°C，干燥环境，密闭
• 产品应用该化合物是一种天然的单碱碱碱,在ALSTONIA 学术性草药中发现,展示了在体外和在体内反脉冲活动.

MSDS等安全信息

• 危险品标志Xi

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902600000-乙苯
  2902700000-异丙基苯
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管