4,4-双[[4-[(2-氨基甲酰乙基)(2-羟乙基)氨基]-6-(对磺酸苯氨基)-1,3,5-三嗪-2-基]氨基]-2,2-二磺酸四钠

CAS号
29637-52-3
CCD编号
CCD08273016
分子式
C42 H42 N14 O16 S4 . 4 Na
分子量
1219.1

基本信息

产品名称: 4,4-双[[4-[(2-氨基甲酰乙基)(2-羟乙基)氨基]-6-(对磺酸苯氨基)-1,3,5-三嗪-2-基]氨基]-2,2-二磺酸四钠
CAS: 29637-52-3
中文同义词: 4,4-双[[4-[(2-氨基甲酰乙基)(2-羟乙基)氨基]-6-(对磺酸苯氨基)-1,3,5-三嗪-2-基]氨基]-2,2-二磺酸四钠
英文同义词: TETRASODIUM 4,4'-BIS[[4-[(2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO]-6-(P-SULPHONATOANILINO)-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULPHONATE
MDL号: MFCD23142734
氢键受体数量: 30
氢键供体数量: 8
Smile: c1cc(ccc1Nc2nc(nc(n2)N(CCC(=O)N)CCO)Nc3ccc(c(c3)S(=O)(=O)[O-])/C=C/c4ccc(cc4S(=O)(=O)[O-])Nc5nc(nc(n5)N(CCC(=O)N)CCO)Nc6ccc(cc6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C42H46N14O16S4.4Na/c43-35(59)15-17-55(19-21-57)41-51-37(45-27-7-11-31(12-8-27)73(61,62)63)49-39(53-41)47-29-5-3-25(33(23-29)75(67,68)69)1-2-26-4-6-30(24-34(26)76(70,71)72)48-40-50-38(46-28-9-13-32(14-10-28)74(64,65)66)52-42(54-40)56(20-22-58)18-16-36(44)60;;;;/h1-14,23-24,57-58H,15-22H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;;;/q;4*+1/p-4/b2-1+;;;;
InChiKey: InChIKey=BHMCWKHQTHVFST-MBCFVHIPSA-J

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