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Substance Name: 2-Naphthalenesulfonic acid, 7-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-3-((4-((4-((6-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoyl)amino)phenyl)azo)-4-hydroxy-, hydrochloride
RN: 85320-69-0
InChIKey: PEPMUORRVYOHDS-RNZMWNDVSA-N

Molecular Formula

  • C63-H79-N25-O9-S2.x-Cl-H

Molecular Weight

  • 1431.076
 
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Names and Synonyms

Synonym

  • EINECS 286-670-7

Systematic Name

  • 2-Naphthalenesulfonic acid, 7-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-3-((4-((4-((6-((4,6-bis(4-(2-aminoethyl)-1-piperazinyl)-1,3,5-triazin-2-yl)amino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)benzoyl)amino)phenyl)azo)-4-hydroxy-, hydrochloride

Registry Numbers

CAS Registry Number

  • 85320-69-0

System Generated Number

  • 0085320690

Molecular Formulas

Molecular Formula

  • C63-H79-N25-O9-S2.x-Cl-H

Molecular Formula Fragments

  • C63-H79-N25-O9-S2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C63H79N25O9S2.ClH/c64-13-17-81-21-29-85(30-22-81)60-71-58(72-61(75-60)86-31-23-82(18-14-65)24-32-86)69-47-9-11-49-42(37-47)39-51(98(92,93)94)53(55(49)89)79-77-45-3-1-41(2-4-45)57(91)68-44-5-7-46(8-6-44)78-80-54-52(99(95,96)97)40-43-38-48(10-12-50(43)56(54)90)70-59-73-62(87-33-25-83(19-15-66)26-34-87)76-63(74-59)88-35-27-84(20-16-67)28-36-88;/h1-12,37-40,89-90H,13-36,64-67H2,(H,68,91)(H,92,93,94)(H,95,96,97)(H,69,71,72,75)(H,70,73,74,76);1H/b79-77+,80-78+;

InChIKey

PEPMUORRVYOHDS-RNZMWNDVSA-N

Smiles

Cl.NCCN1CCN(CC1)c2nc(Nc3ccc4c(O)c(N=Nc5ccc(NC(=O)c6ccc(cc6)N=Nc7c(O)c8ccc(Nc9nc(nc(n9)N%10CCN(CCN)CC%10)N%11CCN(CCN)CC%11)cc8cc7S(=O)(=O)O)cc5)c(cc4c3)S(=O)(=O)O)nc(n2)N%12CCN(CCN)CC%12