4,4-双[[4-苯氨基-6-[(2-氨基甲酰乙基)(2-羟基乙基)氨基]-1,3,5-三嗪-2-基]氨基]-2,2-二苯磺酸二钠

CAS号
27344-06-5
CCD编号
CCD08273004
分子式
C42 H44 N14 O10 S2 . 2 Na
分子量
1015.01

基本信息

产品名称: 4,4-双[[4-苯氨基-6-[(2-氨基甲酰乙基)(2-羟基乙基)氨基]-1,3,5-三嗪-2-基]氨基]-2,2-二苯磺酸二钠
CAS: 27344-06-5
中文同义词: 4,4'-二[[4-苯胺基-6-[(2-氨基甲酰乙基)(2-羟基乙基)氨基]-1,3,5,-三嗪-2-基]氨基]芪-2,2'-二磺化二钠 ; 4,4-双[[4-苯氨基-6-[(2-氨基甲酰乙基)(2-羟基乙基)氨基]-1,3,5-三嗪-2-基]氨基]-2,2-二苯磺酸二钠
英文同义词: DISODIUM 2,2'-(1,2-ETHENEDIYL)BIS[5-([4-[(3-AMINO-3-OXOPROPYL)(2-HYDROXYETHYL)AMINO]-6-ANILINO-1,3,5-TRIAZIN-2-YL]AMINO)BENZENESULFONATE] ; DISODIUM 4,4'-BIS[[4-ANILINO-6-[(2-CARBAMOYLETHYL)(2-HYDROXYETHYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULPHONATE
MDL号: MFCD23142717
氢键受体数量: 24
氢键供体数量: 8
Smile: c1ccc(cc1)Nc2nc(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)Nc6ccccc6.[Na+].[Na+]
InChi: InChI=1S/C42H46N14O10S2.2Na/c43-35(59)17-19-55(21-23-57)41-51-37(45-29-7-3-1-4-8-29)49-39(53-41)47-31-15-13-27(33(25-31)67(61,62)63)11-12-28-14-16-32(26-34(28)68(64,65)66)48-40-50-38(46-30-9-5-2-6-10-30)52-42(54-40)56(22-24-58)20-18-36(44)60;;/h1-16,25-26,57-58H,17-24H2,(H2,43,59)(H2,44,60)(H,61,62,63)(H,64,65,66)(H2,45,47,49,51,53)(H2,46,48,50,52,54);;/q;2*+1/p-2/b12-11+;;
InChiKey: InChIKey=KXZDXBWYWMOFCR-YHPRVSEPSA-L

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