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Substance Name: C.I. Basic Blue 99
RN: 68123-13-7
UNII: P0U7VBC51E
InChIKey: RFQSMLBZXQOMKK-UHFFFAOYSA-N

Note

  • Causes contact dermatitis.

Molecular Formula

  • C19-H20-Br-N4-O2.Cl

Molecular Weight

  • 451.75
 
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Names and Synonyms

Results Name

  • C.I. Basic Blue 99

Name of Substance

  • 3-((4-Amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphtha- lenyl)amino)-N,N,N-trimethylbenzenaminium chloride
  • Basic blue 99
  • Benzenaminium, 3-((4-amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphtha- lenyl)amino)-N,N,N-trimethyl-, chloride
  • CI 56059

Synonyms

  • C.I. Basic Blue 99
  • EINECS 268-544-3
  • UNII-P0U7VBC51E

Systematic Names

  • 3-((4-Amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphtyl)amino)-N,N,N-trimethylanilinium chloride
  • Benzenaminium, 3-((4-amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphthalenyl)amino)-N,N,N-trimethyl-, chloride
  • Benzenaminium, 3-((4-amino-6-bromo-5,8-dihydro-1-hydroxy-8-imino-5-oxo-2-naphthalenyl)amino)-N,N,N-trimethyl-, chloride (1:1)

Registry Numbers

CAS Registry Number

  • 68123-13-7

FDA UNII

  • P0U7VBC51E

System Generated Number

  • 0068123137

Molecular Formulas

Molecular Formula

  • C19-H20-Br-N4-O2.Cl

Molecular Formula Fragments

  • C19-H20-Br-N4-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19BrN4O2.ClH/c1-24(2,3)11-6-4-5-10(7-11)23-15-9-14(22)16-17(19(15)26)13(21)8-12(20)18(16)25;/h4-9H,1-3H3,(H4-,21,22,23,25,26);1H

InChIKey

RFQSMLBZXQOMKK-UHFFFAOYSA-N

Smiles

c12c(C(=O)C(=CC1=N)Br)c(N)cc(c2O)Nc1cc([N+](C)(C)C)ccc1.[ClH-]