466685-98-3 (2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid,hydrate,Zonampanel monohydrate)

CAS号:
466685-98-3
中文名称:
2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid,hydrate
英文名称:
Zonampanel monohydrate
分子式:
C13H11N5O7
分子量:
349.255742311478

2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid,hydrate(466685-98-3)名称与标识符

名称

中文别名:
2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid,hydrate;
英文别名:
Zonampanel hydrate;zonampanel monohydrate;11G3FV7PG7;Zonampanel [USAN:INN];YM872;3,4-Dihydro-7-imidazol-1-yl-6-nitro-2,3-dioxo-1(2H)-quinoxalineacetic acid, monohydrate;(2,3-dioxo-7-(1H-imidazol-1-yl)-6-nitro-1,2,3,4-tetrahydro-1-quinoxalinyl)acetic acid monohydrate;1(2H)-Quinoxalineacetic acid, 3,4-dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-dioxo-, hydrate (1:1);1(2H)-Quinoxalineacetic acid,3,4-dihydro-7-(1H-imidazol-1-yl)-6-nitro-2,3-diox;

标识符

InChIKey:
OBHWTRBRRFQGRJ-UHFFFAOYSA-N
Inchi:
1S/C13H9N5O6.H2O/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22;/h1-4,6H,5H2,(H,15,21)(H,19,20);1H2
SMILES:
O=C1C(NC2C=C(C(=CC=2N1CC(=O)O)N1C=NC=C1)[N+](=O)[O-])=O.O

2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid,hydrate(466685-98-3)物化性质

计算特性

  • 氢键供体数量 : 3
  • 氢键受体数量 : 8
  • 可旋转化学键数量 : 3
  • 重原子数量 : 25
  • 复杂度 : 578
  • 拓扑分子极性表面积 : 151

2-(7-imidazol-1-yl-6-nitro-2,3-dioxo-4H-quinoxalin-1-yl)acetic acid,hydrate(466685-98-3)相关文献