862464-58-2 (2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate,Navarixin monohydrate)

结构式：

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrateMOL文件

CAS号：

862464-58-2

中文名称：

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate

英文名称：

Navarixin monohydrate

分子式：

C₂₃H₂₈N₂O₆

分子量：

428.478226661682

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate(862464-58-2)名称与标识符

名称

中文别名：

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate;

英文别名：

7V3BY6G538;PS291822;Navarixin monohydrate;Navarixin [USAN:INN];2-Hydroxy-N,N-dimethyl-3-((2-((1R)-1-(5-methylfuran-2-yl)propyl)amine)-3,4- dioxocyclobut-1-enyl)amino)benzamide monohydrate;Benzamide, 2-hydroxy-N,N-dimethyl-3-((2-(((1R)-1-(5-methyl-2-furanyl)propyl)amino)- 3,4-dioxo-1-cyclobuten-1-yl)amino)-, hydrate (1:1);

标识符

InChIKey：

OVPWPDFETBKAQQ-UNTBIKODSA-N

Inchi：

1S/C23H26N2O5.H2O/c1-5-7-17(18-11-10-13(2)30-18)24-19-16(21(27)22(19)28)12-14-8-6-9-15(20(14)26)23(29)25(3)4;/h6,8-11,17,24,26H,5,7,12H2,1-4H3;1H2/t17-;/m1./s1

SMILES：

O1C(C)=CC=C1[C@@H](CCC)NC1C(C(C=1CC1C=CC=C(C(N(C)C)=O)C=1O)=O)=O.O

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate(862464-58-2)物化性质

计算特性

氢键供体数量 : 3
氢键受体数量 : 7
可旋转化学键数量 : 8
重原子数量 : 31
复杂度 : 716
拓扑分子极性表面积 : 101

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862464-58-2 (2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate,Navarixin monohydrate)

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate(862464-58-2)名称与标识符

名称

标识符

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate(862464-58-2)物化性质

计算特性

2-hydroxy-N,N-dimethyl-3-[[2-[[(1R)-1-(5-methylfuran-2-yl)butyl]amino]-3,4-dioxocyclobuten-1-yl]methyl]benzamide,hydrate(862464-58-2)相关文献

目录