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Substance Name: Direct Blue 218
RN: 28407-37-6
UNII: RR3V5FL20N
InChIKey: GWEZPAIPHHUMTI-QTSXORJLSA-F

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C32-H16-Cu2-N6-O16-S4.4Na

Molecular Weight

  • 1087.82
 

Names and Synonyms

Name of Substance

  • Direct Blue 218

Synonyms

  • (3,3'-((3,3'-Dihydroxy-1,1'-biphenyl-4,4'-diyl)bis(azo)bis(5-amino-2,7-naphthalenedisulfonato-(O4,O3)))dicopper, tetrasodium salt
  • 2,7-Naphthalenedisulfonic acid, 3,3'((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo)bis(5-amino-4-hydroxy-, sodium salt, copper complex
  • Amanil Supra Blue 9GL
  • C.I. 24401
  • C.I. Direct Blue 218
  • CCRIS 6142
  • CI Direct Blue 218
  • Copper, (mu-((tetrahydrogen 3,3'-((3,3'-dihydroxy-4,4'-biphenylene)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(4-)))di-, tetrasodium salt
  • Cuprate(4-) (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis-(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium salt
  • EINECS 249-008-8
  • Fastusol Blue 9GLP
  • HSDB 4223
  • NCI C60877
  • Pontamine Bond Blue B
  • Pontamine Fast Blue 7GLN
  • Solantine Blue 10GL
  • UNII-RR3V5FL20N

Systematic Names

  • C.I. Direct Blue 218
  • Cuprate(4-), (mu-((3,3'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(1,2-diazenediyl-kappaN1))bis(5-amino-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
  • Cuprate(4-), (mu-((3,3'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(2,1-diazenediyl-kappaN1))bis(5-amino-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, sodium (1:4)
  • Cuprate(4-), (mu-((3,3'-((3,3'-di(hydroxy-kappaO)(1,1'-biphenyl)-4,4'-diyl)bis(azo-kappaN1))bis(5-amino-4-(hydroxy-kappaO)-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Cuprate(4-), (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxy-2,7-naphthalenedisulfonato))(8-)))di-, tetrasodium
  • Tetrasodium (mu-((3,3'-((3,3'-dihydroxy(1,1'-biphenyl)-4,4'-diyl)bis(azo))bis(5-amino-4-hydroxynaphthalene-2,7-disulphonato))(8-)))dicuprate(4-)

Superlist Name

  • C.I. Direct Blue 218

Registry Numbers

CAS Registry Number

  • 28407-37-6

FDA UNII

  • RR3V5FL20N

Other Registry Numbers

  • 10401-50-0
  • 190258-21-0
  • 23909-66-2
  • 27569-07-9
  • 72882-28-1

System Generated Number

  • 0028407376

Molecular Formulas

Molecular Formula

  • C32-H16-Cu2-N6-O16-S4.4Na

Molecular Formula Fragments

  • C32-H16-Cu2-N6-O16-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C32H24N6O16S4.2Cu.4Na/c33-19-11-17(55(43,44)45)5-15-9-25(57(49,50)51)29(31(41)27(15)19)37-35-21-3-1-13(7-23(21)39)14-2-4-22(24(40)8-14)36-38-30-26(58(52,53)54)10-16-6-18(56(46,47)48)12-20(34)28(16)32(30)42;;;;;;/h1-12,39-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;;;/q;2*+2;4*+1/p-8/b37-35-,38-36-;;;;;;

InChIKey

GWEZPAIPHHUMTI-QTSXORJLSA-F

Smiles

c12c3c(c(S(=O)(=O)[O-])cc1cc(S(=O)(=O)[O-])cc2N)N=Nc1ccc(cc1O[Cu]O3)c1cc2c(N=Nc3c(cc4c(c3O[Cu]O2)c(cc(c4)S(=O)(=O)[O-])N)S(=O)(=O)[O-])cc1.[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LDLo oral 3920mg/kg (3920mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rabbit LDLo skin 8gm/kg (8000mg/kg)   Office of Toxic Substances Report. Vol. OTS,
rat LD50 oral 3290mg/kg (3290mg/kg)   Office of Toxic Substances Report. Vol. OTS,