465-62-3 (假士的宁,Pseudostrychnine)

快速询单

结构式：

假士的宁MOL文件

CAS号：

465-62-3

中文名称：

假士的宁

英文名称：

Pseudostrychnine

分子式：

C₂₁H₂₂N₂O₃

分子量：

350.410985469818

假士的宁(465-62-3)名称与标识符

名称

英文别名：

Pseudostrychnine;16-Hydroxy-strychnidin-10-on;16-hydroxy-strychnidin-10-one;16-Hydroxystrychnin;3'-Hydroxy Stanozolol;3-hydroxystrychnine;pseudo-strychnine;psudostrychnine;CHEBI:132666;465-62-3;16-hydroxystrychnine;16-Hydroxystrychnidin-10-one;CHEMBL2164943;(-)-pseudostrychnine;(4aR,5aR,8aS,13aS,15aS,15bR)-5a-hydroxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;SMR001570225;MLSMR;MLS002703508;ConMedNP.1202;NSC99792;NCI60_042242;CHEMBL1970129;DTXSID40963589;NSC-99792;

标识符

InChIKey：

HCCFPODVEOBUMM-YOQTYQRRSA-N

Inchi：

1S/C21H22N2O3/c24-17-9-16-18-13-10-21(25)20(6-7-22(21)11-12(13)5-8-26-16)14-3-1-2-4-15(14)23(17)19(18)20/h1-5,13,16,18-19,25H,6-11H2/t13-,16-,18-,19-,20-,21+/m0/s1

SMILES：

O[C@]12C[C@H]3C4=CCO[C@H]5CC(N6C7C=CC=CC=7[C@@]1(CCN2C4)[C@@H]6[C@@H]35)=O

假士的宁(465-62-3)物化性质

实验特性

LogP : 1.41540
PSA : 53.01000

计算特性

精确分子量 : 350.16300
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 350.16304257g/mol
重原子数量 : 26
复杂度 : 737
同位素原子数量 : 0
确定原子立构中心数量 : 6
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） : 1.8
拓扑分子极性表面积 : 53Å²

假士的宁(465-62-3)相关文献

1. Studies on the reaction of benzoyl peroxide with NN-disubstituted aromatic amines and related compounds. Part VI. Some attempts to effect o-hydroxylation in the strychnine series
G. A. Swan,J. D. Wilcock J. Chem. Soc. Perkin Trans. 1 1972 1429
2. 328. Strychnine and brucine. Part XX. Some derivatives of pseudostrychnine. Comments on a recent memoir of H. Leuchs—über strychnos-alkaloide, LXVIII
B. K. Blount,Robert Robinson J. Chem. Soc. 1932 2305
3. 328. Strychnine and brucine. Part LI. Oxypseudostrychnine
C. A. Friedmann J. Chem. Soc. 1950 1585
4. Strychnine and its mono- and dimeric analogues: a pharmaco-chemical perspective
Darius P. Zlotos,Yasmine M. Mandour,Anders A. Jensen Nat. Prod. Rep. 2022 39 1910
5. 182. Strychnine and brucine. Part L. Experiments with pseudostrychnine, dihydropseudostrychnine, and neostrychnine
K. H. Pausacker,Robert Robinson J. Chem. Soc. 1948 951
6. 140. Strychnine and brucine. Part XLIX. A new method for the preparation of pseudostrychnine
A. S. Bailey,Robert Robinson J. Chem. Soc. 1948 703
7. 305. Strychnine and brucine. Part XLVIII. Degradation of the strychnineacetic acid prepared from pseudostrychnine
K. H. Pausacker,Robert Robinson J. Chem. Soc. 1947 1557
8. Plant species forbidden in health food and their toxic constituents, toxicology and detoxification
Xi-Lin Xu,Yu Shang,Jian-Guo Jiang Food Funct. 2016 7 643
9. 321. Strychnine and brucine. Part XXX. Comments on a memoir of M. Kotake and T. Mitsuwa
Robert Robinson J. Chem. Soc. 1934 1490
10. Alkaloids of Australian Strychnos species. Part II. The constitution of strychnospermine and spermostrychnine
F. A. L. Anet,Robert Robinson J. Chem. Soc. 1955 2253