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Substance Name: Pyridinium, 3-(aminocarbonyl)-1-(3-((5-hydroxy-6-(2-(4-((3-(1-methyl-1H-imidazolium-3-yl)-1-oxopropyl)amino)phenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-3-oxopropyl)-, inner salt, acetate (1:1)
RN: 125441-94-3
InChIKey: VTOFUHMIAHGBQT-UHFFFAOYSA-N

Classification Code

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

Molecular Formula

  • C32-H31-N8-O7-S.C2-H3-O2

Molecular Weight

  • 730.7556
 
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Names and Synonyms

Synonym

  • 2-Naphthalenesulfonic acid, 7-((3-((3-carboxamide-1-pyridinium)-1-oxo)propanamino)-4-hydroxy-3-((4-((3-((3-methyl-1H-imidazolium)-1-oxo)propan)amino)phenyl)azo)-, acetate

Systematic Names

  • Pyridinium, 3-(aminocarbonyl)-1-(3-((5-hydroxy-6-((4-((3-(3-methyl-1H-imidazolium-1-yl)-1-oxopropyl)amino)phenyl)azo)-7-sulfo-2-naphthalenyl)amino)-3-oxopropyl)-, inner salt, acetate (salt)
  • Pyridinium, 3-(aminocarbonyl)-1-(3-((5-hydroxy-6-(2-(4-((3-(1-methyl-1H-imidazolium-3-yl)-1-oxopropyl)amino)phenyl)diazenyl)-7-sulfo-2-naphthalenyl)amino)-3-oxopropyl)-, inner salt, acetate (1:1)

Registry Numbers

CAS Registry Number

  • 125441-94-3

System Generated Number

  • 0125441943

Molecular Formulas

Molecular Formula

  • C32-H31-N8-O7-S.C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C32-H31-N8-O7-S
  • COMPONENT

Structure Descriptors

InChI

1S/C32H30N8O7S.C2H4O2/c1-38-15-16-40(20-38)14-11-28(41)34-23-4-6-24(7-5-23)36-37-30-27(48(45,46)47)18-22-17-25(8-9-26(22)31(30)43)35-29(42)10-13-39-12-2-3-21(19-39)32(33)44;1-2(3)4/h2-9,12,15-20H,10-11,13-14H2,1H3,(H4-2,33,34,35,36,37,41,42,43,44,45,46,47);1H3,(H,3,4)

InChIKey

VTOFUHMIAHGBQT-UHFFFAOYSA-N