找化学品上960化工网!
960化工网

山莨菪碱 | 55869-99-3

山莨菪碱结构式图片|55869-99-3结构式图片
山莨菪碱
Anisodamine
55869-99-3
C17H23NO4
305.36882
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:山莨菪碱结构式
6918612
山莨菪碱价格
简介
Anisodamine (6-Hydroxyhyoscyamine),颠茄生物碱,也是一种非亚型的选择性毒蕈碱和烟碱类胆碱受体拮抗剂。Anisodamine 用于中医研究多种疾病,主要用于改善休克状态下的微循环,也可用于有机磷中毒。
名称和标识符
InChIKey WTQYWNWRJNXDEG-UHFFFAOYSA-N
Inchi InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3
SMILES CN1[C@H]2[C@@H](O)C[C@@H]1C[C@H](OC([C@@H](C3=CC=CC=C3)CO)=O)C2
别名信息
- 中文别名 -
  • 山莨菪碱
  • 6-beta-羟基莨菪碱
  • 阿托品杂质E
  • 7-羟基莨菪碱
- 英文别名 -
  • (S)-(1R,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
  • (-)-Anisodamine
  • 3-bicyclo[3.2.1]octanyl 3-hydroxy-2-phenyl-propanoate
  • 6(S)-Hydroxyhyoscyamine Discontinued See H942900
  • 6-Hydroxyhyoscyamine
  • 6β-HydroxyhyoscyaMine
  • 7-Hydroxy-Hyoscyamine
  • ALPHA-(HYDROXYMETHYL)-BENZENEACETIC ACI 6-HYDROXY-8-METHYL-8-AZABICYCLO(3.2
  • Anisodamine
  • Benzeneacetic acid, a-(hydroxymethyl)-,(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (aS)-
  • (1r-(1-α,3-β(s*),5-α,6-α))-.1)oct-3-yleste
  • (1R,2'S,3S,5R,6S)-6-hydroxyhyo
  • (3S,6R,2'S)-6β-hydroxyhyoscyamine
  • 6-(S)-hydroxyhyoscyamine
  • 6-hydroxy-hyoscyamin
  • 6-β-hydroxyhyoscyamine
  • Hyoscyamine, 6-hydroxy- (6ci, 7ci)
  • α-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
  • α-(hydroxymethyl)-benzeneaceticaci6-hydroxy-8-methyl-8-azabicyclo(3.2
  • alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
  • CHEMBL2165224
  • Hyoscyamine, 6-hydroxy-
  • OVR
  • Raceanisodamine [WHO-DD]
  • GLXC-25555
  • NS00069083
  • BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-REL-
  • ANISODAMINE [MART.]
  • NCGC00485098-02
  • U5AC4ZPQ36
  • CCG-221772
  • (S)-3-hydroxy-2-phenyl-propionic acid (1r,3s,5r,6S)-6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester, AldrichCPR
  • Anisodamine, (+/-)-
  • 55869-99-3
  • UNII-01343Q8EL8
  • MS-24415
  • BENZENEACETIC ACID, .ALPHA.-(HYDROXYMETHYL)-, (1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.S)-
  • DB11785
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (1R-(1-alpha,3-beta(S*),5-alpha,6-alpha))-
  • anisodamine
  • WTQYWNWRJNXDEG-RBZJEDDUSA-N
  • (1R,3S,5R,6S)-6-HYDROXY-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL (2S)-3-HYDROXY-2-PHENYLPROPANOATE
  • CS-4549
  • [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-
  • (-)-6.beta.-hydroxyhyoscyamine
  • 654-II
  • UNII-U5AC4ZPQ36
  • 6.beta.-Hydroxyhyoscyamine
  • 85760-60-7
  • ANISODAMINE [WHO-DD]
  • [(1S,3S,5S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-rel-
  • NCGC00485098-01
  • 01343Q8EL8
  • HY-N0584
  • Raceanisodamine
  • AKOS015955736
  • DTXSID301025872
  • [(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
  • [(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
  • [(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenylpropanoate
  • CHEBI:2735
  • CHEBI:2735
  • CHEBI:2735
  • F85216
  • F85216
  • F85216
  • AC1L9DTH
  • AC1L9DTH
  • AC1L9DTH
  • NS00100880
  • NS00100880
  • NS00100880
  • C10842
  • C10842
  • C10842
  • 6-beta-hydroxyhyoscyamine
  • 6-beta-hydroxyhyoscyamine
  • 6-beta-hydroxyhyoscyamine
  • AKOS005388168
  • AKOS005388168
  • AKOS005388168
  • AKOS001660518
  • AKOS001660518
  • AKOS001660518
  • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
  • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
  • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
  • 7beta-Hydroxyhyoscyamine
  • 7beta-Hydroxyhyoscyamine
  • 7beta-Hydroxyhyoscyamine
  • MFCD03764601
  • MFCD03764601
  • MFCD03764601
  • WTQYWNWRJNXDEG-UHFFFAOYSA-N
  • WTQYWNWRJNXDEG-UHFFFAOYSA-N
  • WTQYWNWRJNXDEG-UHFFFAOYSA-N
  • 7b-Hydroxyhyoscyamine
  • 7b-Hydroxyhyoscyamine
  • 7b-Hydroxyhyoscyamine
  • WTQYWNWRJNXDEG-UHFFFAOYSA-
  • WTQYWNWRJNXDEG-UHFFFAOYSA-
  • WTQYWNWRJNXDEG-UHFFFAOYSA-
  • O11598
  • O11598
  • O11598
  • BCP13929
  • BCP13929
  • BCP13929
  • HY-N2064
  • HY-N2064
  • HY-N2064
  • 39459-41-1
  • 39459-41-1
  • 39459-41-1
  • NCGC00095248-02
  • NCGC00095248-02
  • NCGC00095248-02
  • CCG-18441
  • CCG-18441
  • CCG-18441
  • (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
  • (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
  • (6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate
  • SR-01000161872-5
  • SR-01000161872-5
  • SR-01000161872-5
  • EU-0041704
  • EU-0041704
  • EU-0041704
  • 7(c)micro-hydroxyhyoscyamine
  • Raceanisodamine
  • alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • Tropic acid 6-hydroxy-3-tropanyl ester
  • 7(c)micro-hydroxyhyoscyamine
  • Raceanisodamine
  • alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • Tropic acid 6-hydroxy-3-tropanyl ester
  • 7(c)micro-hydroxyhyoscyamine
  • Raceanisodamine
  • alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
  • Tropic acid 6-hydroxy-3-tropanyl ester
  • CS-0018553
  • CS-0018553
  • CS-0018553
  • FT-0697836
  • FT-0697836
  • FT-0697836
  • AC-3381
  • AC-3381
  • AC-3381
  • racanisodamine
  • racanisodamine
  • racanisodamine
  • A919268
  • A919268
  • A919268
  • SR-01000161872-3
  • SR-01000161872-3
  • SR-01000161872-3
  • FT-0774891
  • FT-0774891
  • FT-0774891
  • 6-Hydroxy hyoscyamine
  • 6-Hydroxy hyoscyamine
  • 6-Hydroxy hyoscyamine
  • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl3-hydroxy-2-phenylpropanoate
  • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl3-hydroxy-2-phenylpropanoate
  • 6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl3-hydroxy-2-phenylpropanoate
  • InChI=1/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3
  • InChI=1/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3
  • InChI=1/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3
  • SR-01000161872
  • SR-01000161872
  • SR-01000161872
  • BCP13930
  • BCP13930
  • BCP13930
  • 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
  • 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
  • 3-Hydroxy-2-phenyl-propionic acid 6-hydroxy-8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
  • s5705
  • s5705
  • s5705
  • NCGC00095248-01
  • NCGC00095248-01
  • NCGC00095248-01
  • 17659-49-3
  • 17659-49-3
  • 17659-49-3
  • DS-19740
  • DS-19740
  • DS-19740
  • Anisodamine (6-hydroxy Hyoscyamine)
物化性质
实验特性
LogP 0.83960
PSA 70.00000
折射率 1.565
沸点 474.6±45.0 °C at 760 mmHg
熔点 NA
蒸气压 0.0±1.2 mmHg at 25°C
闪点 240.8±28.7 °C
溶解度 H2O: ≥5mg/mL
颜色与性状 Powder
密度 1.27
计算特性
精确分子量 305.16300
氢键供体数量 2
氢键受体数量 5
可旋转化学键数量 5
同位素质量 305.163
重原子数量 22
复杂度 396
同位素原子数量 0
确定原子立构中心数量 3
不确定原子立构中心数量 2
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) 0.9
表面电荷 0
拓扑分子极性表面积 70
专业数据库参考
PubChemId 6918612
参考资料
Reaxys RN
960化工网为您提供山莨菪碱专业化合物百科信息,包括中文名,英文名,分子式,分子量,以及该化合物的CasNo.:55869-99-3,和相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等
平台客服 平台客服

平台在线客服