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Substance Name: 7-((4,6-Bis(4-(2-aminoethyl)piperazin-1-yl)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-(phenylazo)phenyl)azo)naphthalene-2-sulphonic acid hydrochloride
RN: 85305-12-0
InChIKey: NMUDNLQHEWLJAH-ITNKAGRZSA-N

Molecular Formula

  • C37-H44-N14-O4-S.x-Cl-H

Molecular Weight

  • 817.3755
 
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Names and Synonyms

Synonym

  • EINECS 286-652-9

Systematic Name

  • 7-((4,6-Bis(4-(2-aminoethyl)piperazin-1-yl)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((4-(phenylazo)phenyl)azo)naphthalene-2-sulphonic acid hydrochloride

Registry Numbers

CAS Registry Number

  • 85305-12-0

System Generated Number

  • 0085305120

Molecular Formulas

Molecular Formula

  • C37-H44-N14-O4-S.x-Cl-H

Molecular Formula Fragments

  • C37-H44-N14-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C37H44N14O4S.ClH/c38-12-14-48-16-20-50(21-17-48)36-41-35(42-37(43-36)51-22-18-49(15-13-39)19-23-51)40-30-10-11-31-26(24-30)25-32(56(53,54)55)33(34(31)52)47-46-29-8-6-28(7-9-29)45-44-27-4-2-1-3-5-27;/h1-11,24-25,52H,12-23,38-39H2,(H,53,54,55)(H,40,41,42,43);1H/b45-44+,47-46+;

InChIKey

NMUDNLQHEWLJAH-ITNKAGRZSA-N

Smiles

c1ccc(cc1)/N=N/c2ccc(cc2)/N=N/c3c(cc4cc(ccc4c3O)Nc5nc(nc(n5)N6CCN(CC6)CCN)N7CCN(CC7)CCN)S(=O)(=O)O.Cl