40709-69-1 (荷包牡丹碱甲碘化物,Bicuculline methiodide)

CAS号:
40709-69-1
中文名称:
荷包牡丹碱甲碘化物
英文名称:
Bicuculline methiodide
分子式:
C21H20INO6
分子量:
509.291078567505
简介:
Bicuculline methiodide 是一种有效的 GABA(A) 受体阻断剂。Bicuculline methiodide 改变膜特性和放电模式。Bicuculline methiodide 降低 Apamin 敏感性后超极化,而 Apamin 是从蜂毒中分离到毒素,能够阻断小电导 Ca2+ 激活的 K+ 通道素。Bicuculline methiodide 通过阻断对 Apamin 敏感的 Ca2+ 激活的 K+ 电流促进爆发性放电。

荷包牡丹碱甲碘化物(40709-69-1)名称与标识符

名称

英文别名:
1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,iodide (1:1), (5S)-;(-)-BICUCULLINE METHIODIDE;(-)-Bicuculline methiodide,[R-(R*,S*)]-5-(6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinoliniumiodide;1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,...;1,3-Dioxolo[4,5-g]isoquinolinium,5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-,;[R-(R*,S*)]-5-(6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-diMethyl-1,3-dioxolo[4,5-g]isoquinoliniuMiodide;bicuculine methiodide;Bicuculline methiodide;(-)-Bicucullinemethiodide;1(S),9(R)-(-)-Bicuculline methiodide;MLS000069548;SMR000058804;(6R)-6-[(5S)-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide;MLS001148459;[R-(R*,S*)]-5-(6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium iodide;(6S)-6-[(5R)-6,6-Dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin;Q60688946;1,3-Dioxolo(4,5-g)isoquinolinium, 5-(6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, (R-(R*,S*))-;1,3-Dioxolo(4,5-g)isoquinolinium, 5-((6R)-6,8-dihydro-8-oxofuro(3,4-e)-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, (5S)-;(+)-Bicuculline methiodide;SCHEMBL20915028;CS-0027978;HMS3414P11;J-100046;40709-69-1;HMS3269M03;MFCD00078966;HB0893;C21H20INO6;HY-103474;Opera_ID_515;HMS2235E04;BB162664;HMS3678P09;AKOS024457137;(S)-6,6-dimethyl-5-((R)-8-oxo-6,8-dihydroisobenzofuro[5,4-d][1,3]dioxol-6-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide;1(S),9(R)-(-)-Bicuculline methiodide, >=95.0% (HPCE);DTXSID60873651;(5S)-5-[(6R)-6,8-Dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium iodide;CHEMBL556604;(5S)-6,6-DIMETHYL-5-[(10R)-12-OXO-3,5,11-TRIOXATRICYCLO[7.3.0.0(2),?]DODECA-1,6,8-TRIEN-10-YL]-2H,5H,7H,8H-[1,3]DIOXOLO[4,5-G]ISOQUINOLIN-6-IUM IODIDE;(6S)-6-[(5R)-6,6-Dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one;iodide;DA-51107;

标识符

InChIKey:
HKJKCPKPSSVUHY-GRTNUQQKSA-M
Inchi:
1S/C21H20NO6.HI/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m0./s1
SMILES:
[I-].O1C(C2C3=C(C=CC=2[C@@H]1[C@@H]1C2C=C4C(=CC=2CC[N+]1(C)C)OCO4)OCO3)=O

荷包牡丹碱甲碘化物(40709-69-1)物化性质

实验特性

  • LogP : -0.30790
  • PSA : 63.22000
  • 沸点 : °Cat760mmHg
  • 闪点 : °C
  • 溶解度 : H2O: soluble10mg/mL, almost clear, greenish-yellow

计算特性

  • 精确分子量 : 509.03400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 1
  • 同位素质量 : 509.03353 g/mol
  • 重原子数量 : 29
  • 复杂度 : 655
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 2
  • 不确定原子立构中心数量 : 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
  • 共价键单元数量 : 2
  • 拓扑分子极性表面积 : 63.2
  • 分子量 : 509.3

荷包牡丹碱甲碘化物(40709-69-1)安全信息

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