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S-四氢*** | 4747-98-2

S-四氢***结构式图片|4747-98-2结构式图片
S-四氢***
(S)-Nor Laudanosine
4747-98-2
C20H25NO4
343.42
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:S-四氢***结构式
639354
S-四氢***价格
名称和标识符
InChIKey YXWQTVWJNHKSCC-INIZCTEOSA-N
Inchi 1S/C20H25NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-6,10-12,16,21H,7-9H2,1-4H3/t16-/m0/s1
SMILES COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2)OC)OC)OC
别名信息
- 中文别名 -
  • S-四氢***
- 英文别名 -
  • (1S)-1-[(3,4-Dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
  • (S)-Nor Laudanosine
  • (1S)-1,2,3,4-tetrahydro-6,7-dimethoxy -1-[(3,4-dimethoxyphenyl)methyl]Isoquinoline
  • 2-Demethyllaudanosine
  • norlaudanosine
  • (S)-Nor Laudanosine
  • S-Tetrahydropapaverine
  • (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  • Norlaudanosins
  • (1S)-1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  • SCHEMBL251076
  • (S)-tetrahydropapaverine
  • (S)-(-)-Tetrahydropapaverine
  • AKOS015895933
  • AT38019
  • CHEBI:195379
  • (1s)-1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoQUINOLINE
  • 4747-98-2
  • C21631
  • DTXSID50348641
  • (S)-1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE
  • (S)-Norlaudanosine
  • S9T
  • YXWQTVWJNHKSCC-INIZCTEOSA-N
  • (1S)-1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
  • (-)-Tetrahydropapaverine
  • (1~{s})-1-[(3,4-Dimethoxyphenyl)methyl]-6,7-Dimethoxy-1,2,3,4-Tetrahydroisoquinoline
  • Q27465279
  • S-(-)-N-Norlaudanosine
  • Tetrahydropapaverine
  • (S)-Tetrahydropapaverine
物化性质
实验特性
LogP 3.47930
PSA 48.95000
密度 1.120
计算特性
精确分子量 343.17800
氢键供体数量 1
氢键受体数量 5
可旋转化学键数量 6
同位素质量 343.17835828g/mol
重原子数量 25
复杂度 407
同位素原子数量 0
确定原子立构中心数量 1
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) 3.2
拓扑分子极性表面积 49Ų
相关文献
  • 1. A new integrated method of magnetic separation of isoquinoline alkaloids from Coptis chinensis based on their magnetized derivatives and key physical properties
    Lirong Nie,Xueting Feng,Hang Song,Zicheng Li,Shun Yao New J. Chem. 2020 44 7105
  • 2. 281. Synthetic neuromuscular blocking agents. Part IV. Compounds related to both laudexium and suxamethonium
    J. M. Z. Gladych,E. P. Taylor J. Chem. Soc. 1962 1481
  • 3. 697. Alkaloid biosynthesis. Part IV. 1-Benzylisoquinolines as precursors of thebaine, codeine, and morphine
    A. R. Battersby,R. Binks,R. J. Francis,D. J. McCaldin,H. Ramuz J. Chem. Soc. 1964 3600
  • 4. Electrochemical oxidation of aromatic ethers. Part 8. Evidence of homogeneous electron transfer during the ‘low potential’ oxidation of laudanosine
    Michael Hutchins,Malcolm Sainsbury,David I. C. Scopes J. Chem. Soc. Perkin Trans. 1 1983 2059
  • 5. 30. Synthetic neuromuscular blocking agents. Part II. Bis(quaternary ammonium salts) derived from laudanosine
    E. P. Taylor J. Chem. Soc. 1952 142
专业数据库参考
PubChemId 639354
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