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Substance Name: Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-4-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:?)
RN: 1078153-53-3
InChIKey: FGPSDTPCEPRBTH-LOSWNTLOSA-N

Classification Code

  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C26-H26-Cl-N9-O12-S3.x-Na

Molecular Weight

  • 811.1834
 
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Names and Synonyms

  • Benzenesulfonic acid, 2-(2-(5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl)-4-((4-chloro-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt (1:?)

Registry Numbers

CAS Registry Number

  • 1078153-53-3

System Generated Number

  • 1078153533

Structure Descriptors

InChI

1S/C26H26ClN9O12S3.Na/c1-2-36-22(38)19(21(28)37)16(20(23(36)39)35-34-17-5-3-4-6-18(17)50(42,43)44)13-29-25-31-24(27)32-26(33-25)30-14-7-9-15(10-8-14)49(40,41)12-11-48-51(45,46)47;/h3-10,39H,2,11-13H2,1H3,(H2,28,37)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);/q;+1/b35-34+;

InChIKey

FGPSDTPCEPRBTH-LOSWNTLOSA-N

Smiles

[Na+].CCN1C(=C(N=Nc2ccccc2S(=O)(=O)O)C(=C(C(=O)N)C1=O)CNc3nc(Cl)nc(Nc4ccc(cc4)S(=O)(=O)CCOS(=O)(=O)O)n3)O