CAS: 2718-25-4; (5Br,13Br,15S)-15-Methoxy-6-Methyl-5B,6,7,8,13B,15-Hexahydro-[1,3]Dioxolo[4',5':7,8]Isochromeno[4,3-B][1,3]Dioxolo[5',4':4,5]Benzo[1,2-D]Azepine

• 英文名称(5Br,13Br,15S)-15-Methoxy-6-Methyl-5B,6,7,8,13B,15-Hexahydro-[1,3]Dioxolo[4',5':7,8]Isochromeno[4,3-B][1,3]Dioxolo[5',4':4,5]Benzo[1,2-D]Azepine
• 中文名称丽春花碱
• IUPAC名称(5bR,13bR,15S)-15-methoxy-6-methyl-5b,6,7,8,13b,15-hexahydro-[1,3]dioxolo[4',5':7,8]isochromeno[4,3-b][1,3]dioxolo[5',4':4,5]benzo[1,2-d]azepine
• 其它别名3:10,11-Bis(Methylenebis(Oxy))-8-Methoxy-16-Methyl-(8-Beta)-Rheada; 8-Beta-Methoxy-16-Methyl-2,3:10,11-Bis(Methylenebis(Oxy))Rheadan; Rheadine; Rhoeadin; Rhoeadine; (5Br,13Br,15S)-5B,6,7,8,13B,15-Hexahydro-15-Methoxy-6-Methyl-[1,3]Dioxolo[4,5-H]-1,3-Dioxolo[7,8][2]Benzopyrano[3,4-A][3]Benzazepine; 8β-Methoxy-16-Methyl-2,3:10,11-Bis[methylenebis(Oxy)]Rheadan
• CAS编号2718-25-4
• MFCD编号:MFCD00075892
• FDA UNII编号:9Q9C65WH3B
• 分子式:C21H21NO6分子量:383.4
• 产品CID: 1251680
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• 产品信息参考;;;;
• InChIKey: XRBIHOLQAKITPP-SBHAEUEKSA-N
• InChI=1S/C21H21NO6/c1-22-6-5-11-7-15-16(26-9-25-15)8-13(11)19-18(22)12-3-4-14-20(27-10-24-14)17(12)21(23-2)28-19/h3-4,7-8,18-19,21H,5-6,9-10H2,1-2H3/t18-,19-,21+/m1/s1
• 计算化学: 氢键受体数7.0氢键供体数0.0可旋转键数1.0

物理性质

• 熔点222 °C
• 沸点489.3 °C at 760 mmHg
• 闪点142.9 °C
• 密度1.45g/cm3
• PH:D23 +235° (c = 1.01 in chloroform); D22 +174° (c = 0.69 in pyridine)
• pKa:6.40±0.40(预测)
• PSA:58.62
• LogP:3.0274
• 折射率1.674
• 蒸汽压1.01E-09mmHg at 25°C
• 溶解性832.6mg/L(25 °C)
• 产品应用该化合物用于预防和治疗暗示中和/或外围障碍的病理.

MSDS等安全信息

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海关参考信息

• 2902600000-乙苯
  2906210000-苄醇
  2907210001-间苯二酚
  2922110001-单乙醇胺
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