2-[[5-(氨基甲酰基)-1-乙基-1,6-二氢-2-羟基-4-甲基-6-氧代-3-砒啶基] 偶氮基]-4-[[4-[(2-氯-5-磺基苯)氨基]-6-氟-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐

benzenesulfonic acid, 2-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-((4-((2-chloro-5-sulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, disodium salt · CAS 75268-65-4

中文名: 2-[[5-(氨基甲酰基)-1-乙基-1,6-二氢-2-羟基-4-甲基-6-氧代-3-砒啶基] 偶氮基]-4-[[4-[(2-氯-5-磺基苯)氨基]-6-氟-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐
中文别名: 暂无
英文名: benzenesulfonic acid, 2-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-((4-((2-chloro-5-sulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, disodium salt
CAS: 75268-65-4
CID: 166467
IUPAC 名称: disodium;2-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-4-[[4-(2-chloro-5-sulfonatoanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulfonate

名称与编号

中文名: 2-[[5-(氨基甲酰基)-1-乙基-1,6-二氢-2-羟基-4-甲基-6-氧代-3-砒啶基] 偶氮基]-4-[[4-[(2-氯-5-磺基苯)氨基]-6-氟-1,3,5-三嗪-2-基]氨基]苯磺酸二钠盐
中文别名: 暂无
英文名: benzenesulfonic acid, 2-((5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo)-4-((4-((2-chloro-5-sulfophenyl)amino)-6-fluoro-1,3,5-triazin-2-yl)amino)-, disodium salt
CAS: 75268-65-4
CID: 166467
IUPAC 名称: disodium;2-[(5-carbamoyl-1-ethyl-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)diazenyl]-4-[[4-(2-chloro-5-sulfonatoanilino)-6-fluoro-1,3,5-triazin-2-yl]amino]benzenesulfonate

分子属性

分子式: C24H19ClFN9Na2O9S2
分子量: 742 g/mol
精确质量: 741.02151 Da
单同位素质量: 741.02151 Da
XLogP: 暂无
极性表面积: 302 Å²
氢键供体: 4
氢键受体: 17
可旋转键: 8
重原子数: 48
净电荷: 0
结构复杂度: 1480

结构标识

InChIKey: QGICSQUXJMZAPN-UHFFFAOYSA-L
SMILES: CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)F)NC4=C(C=CC(=C4)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])C)C(=O)N)O.[Na+].[Na+]
InChI: InChI=1S/C24H21ClFN9O9S2.2Na/c1-3-35-20(37)17(19(27)36)10(2)18(21(35)38)34-33-15-8-11(4-7-16(15)46(42,43)44)28-23-30-22(26)31-24(32-23)29-14-9-12(45(39,40)41)5-6-13(14)25;;/h4-9,37H,3H2,1-2H3,(H2,27,36)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32);;/q;2*+1/p-2