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必扣扣灵 | 485-49-4

必扣扣灵
Bicuculline
485-49-4
C20H17NO6
367.3521
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:必扣扣灵结构式
24848584
必扣扣灵价格
简介
必扣扣灵是一种化学物质,分子式为C20H17NO6。
名称和标识符
MDL MFCD00005006
InChIKey IYGYMKDQCDOMRE-ZWKOTPCHSA-N
Inchi 1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18+/m0/s1
SMILES O1C(C2C3=C(C([H])=C([H])C=2[C@]1([H])[C@]1([H])C2=C([H])C4=C(C([H])=C2C([H])([H])C([H])([H])N1C([H])([H])[H])OC([H])([H])O4)OC([H])([H])O3)=O
BRN 0098786
别名信息
- 中文别名 -
  • 必扣扣灵
  • 毕扣扣灵碱
  • 右旋荷包牡丹碱
  • 毕枯枯林
  • 山乌龟碱
  • 荷包牡丹碱
  • 比枯枯靈[鹼]
  • (+)-荷包牡丹碱
  • 毕扣扣灵
  • 比枯枯灵
  • 右旋比扣扣灵碱
  • ( )-荷包牡丹碱
  • (+)-比枯枯灵
  • (+)-荷包牡丹硷 (P)
  • 比枯枯灵 对照品标准品
  • 右旋比扣扣灵
  • 右旋比扣扣灵碱 植物提取物,标准品,对照品
  • 2-溴-3-甲基吡啶
  • 比扣扣灵
  • 荷包牡丹碱 植物提取物,标准品,对照品
  • 荷包牡丹碱对照品
  • 右旋比扣扣灵碱 分析标准品
  • 右旋荷包牡丹碱(标准品)
- 英文别名 -
  • bicucullin
  • (+)-BICUCULINE
  • BICUCULLINE
  • D-BICUCULLINE
  • (+)-Bicuculline
  • Furo[3,4-e]-1,3-benzodioxol-8(6H)-one,6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-
  • 2-BroMo-3-Methylpyridine
  • bicucculine
  • PLUS-BICUCULLINE
  • (R-(R*,S*))-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-furo(3,4-e)-1,3-benzodioxol-8(6H)-one
  • [ "" ]
  • Bicculine
  • Bicuculline (+)
  • C20H17NO6
  • Y37615DVKC
  • (6R)-6-[(5S)-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]furo[3,4-e][1,3]benzodioxol-8(6H)-one
  • NSC32192
  • Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,S*))-
  • (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g
  • d-Bicuculline
  • Bicuculline
  • BDBM50000693
  • (+)-Bicuculline, >=97.0% (TLC)
  • (+)-Bicuculline, 98%
  • CHEBI:3092
  • Prestwick3_000589
  • CHEMBL417990
  • BSPBio_000438
  • SW196408-2
  • WLN: T C566 DO FO KN EH&&TJ K1 J- ET B565 CVO JO LO EH KHJ
  • s7071
  • (R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)isobenzofuro[5,4-d][1,3]dioxol-8(6H)-one
  • AKOS024282673
  • HMS3414D19
  • [R-(R*,S*)]-6-(5,6,7,8-Tetrahydro-6 -methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)furo[3, 4-e]-1,3-benzodioxol-8(6H)-one
  • (bicuculline) 6-Methyl-5-(8-oxo-6,8-dihydro-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-6-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
  • DTXSID3042687
  • DB11562
  • HMS3678D19
  • (R)-6-((S)-6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one
  • Bicucullin
  • Biomol-NT_000252
  • B-2400
  • HMS501O11
  • C09364
  • HMS3886N09
  • bicuculline-(+)
  • (6R)-6-[(5S)-5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]lisoquinolin-5-yl]furo[3,4-e]-1,3-benzodioxol-8(6H)-one
  • Furo[3,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-, [R-(R*,S*)]-
  • HB0896
  • BB164251
  • SPBio_002657
  • EINECS 207-619-7
  • 6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one (Bicuculline)
  • KBio1_000609
  • SR-01000075252-1
  • CS-5493
  • BICUCULLINE [MI]
  • SR-01000075252-5
  • AS-17471
  • H0Z
  • B 9130
  • BPBio1_000794
  • NCGC00017385-06
  • HY-N0219
  • MFCD00005006
  • BRN 0098786
  • Prestwick_96
  • HMS2096F20
  • BPBio1_000482
  • [R-(R*,S*)]-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-e]-1,3-benzodioxol-8(6H)-one
  • DivK1c_000609
  • GTPL2312
  • HMS1569F20
  • HMS3266A07
  • Bicuculline,(+)
  • Prestwick0_000589
  • NSC-32192
  • (6R)-6-((5S)-6-methyl(5,6,7,8-tetrahydro-2H-1,3-dioxolano[4,5-g]isoquinolin-5- yl))-6-hydro-2H-1,3-dioxoleno[4,5-e]isobenzofuran-8-one
  • (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[4,3-g][1,3]benzodioxol-8-one
  • Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-((5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (6R)-
  • HMS3652N20
  • SR-01000075252-4
  • SR-01000075252
  • 4-27-00-06900 (Beilstein Handbook Reference)
  • NSC 32192
  • SCHEMBL8222
  • Prestwick2_000589
  • (R)-6-((S)-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-[1,3]dioxolo[4,5-e]isobenzofuran-8(6H)-one
  • BCP04180
  • AC-31293
  • (6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
  • NINDS_000609
  • PDSP2_000138
  • IDI1_000609
  • (6R)-6-((5S)-6-METHYL-5,6,7,8-TETRAHYDRO(1,3)DIOXOLO(4,5-G)ISOQUINOLIN-5-YL)FURO(3,4-E)(1,3BENZODIOXOL-8(6H)-ONE
  • Furo[3,4-e]-1,3-benzodioxol-8(6H)-one, 6-[(5S)-5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl]-, (6R)-
  • 6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one
  • SMR001233241
  • NS00031807
  • 6-(6-Methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3'',4'':3,4]benzo[1,2-d][1,3]dioxol-8-one(bicuculline)
  • bicuculline
  • CCG-204329
  • MLS002153892
  • 485-49-4
  • Prestwick1_000589
  • UNII-Y37615DVKC
  • Q3639734
  • B1890
  • Lopac0_000234
  • HMS2235H18
  • (+)-Bicuculline- Bio-X
物化性质
实验特性
LogP 2.52260
PSA 66.46000
Merck 1203
折射率 1.5600 (estimate)
沸点 542.3°C at 760 mmHg
熔点 195.0 to 199.0 deg-C
闪点 281.8 °C
溶解度 Solubility in Chloroform almost transparency
颜色与性状 Powder
溶解性 溶于苯、氯仿、乙酸乙酯,微溶于乙醇和乙醚。
酸度系数(pKa) 4.84(at 25℃)
最大波长(λmax) 325(lit.)
比旋光度 D25 +130.5° (CHCl3)
密度 1.3694 (rough estimate)
计算特性
精确分子量 367.10600
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 367.105587
重原子数量 27
复杂度 615
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 1
疏水参数计算参考值(XlogP) 2.6
表面电荷 0
拓扑分子极性表面积 66.5
分子量 367.4
国际标准相关数据
EINECS 32192
生产方法和用途
用途 生化研究,γ-氨基丁酸的拮抗物
相关文献
专业数据库参考
PubChemId 24848584
参考资料
Reaxys RN 98786
Beilstein 27(3/4)6900
化合物详情(旧版)

物理化学性质

熔点 193-197 °C

产品用途


应用领域


上下游产品信息


化学品安全说明书(MSDS)


(R-(R*,S*))-6-(5,6,7,8-Tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-furo(3,4-e)-1,3-benzodioxol-8(6H)-one(485-49-4).msds

储运特性


通风低温干燥; 与库房食品原料分开存放 

必扣扣灵的质谱图

必扣扣灵/485-49-4的质谱图

扩展阅读
毕扣扣灵 http://www.biopurify.cn/p-2364.html
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