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Substance Name: C.I. 35445
RN: 2519-31-5
InChIKey: KWLBXJOOOYQEFA-ORFRTFOWSA-G

Molecular Formula

  • C48-H43-N13-O23-S7.7Na

Molecular Weight

  • 1548.27
 
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Names and Synonyms

Results Name

  • C.I. 35445

Synonyms

  • Black 5410
  • Black agk
  • C.I. 35445
  • CERN 5410
  • CERN 5410 [Czech]
  • Hexacol Black AGK

Systematic Name

  • 2-Naphthalenesulfonic acid, 6-((2,4-bis((sulfomethyl)amino)phenyl)azo)-3-((4-(p-((7-((2,4-bis((sulfomethyl)amino)phenyl)azo)-1-hydroxy-3-sulfo-2-naphthyl)azo)anilino)-3-sulfophenyl)azo)-4-hydroxy-, heptasodium salt

Registry Numbers

CAS Registry Number

  • 2519-31-5

System Generated Number

  • 0002519315

Molecular Formulas

Molecular Formula

  • C48-H43-N13-O23-S7.7Na

Molecular Formula Fragments

  • C48-H43-N13-O23-S7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C48H43N13O23S7.7Na/c62-47-35-17-32(54-58-37-11-8-28(49-22-85(64,65)66)19-40(37)51-24-87(70,71)72)6-4-26(35)14-43(90(79,80)81)45(47)60-56-31-3-1-2-30(16-31)53-39-13-10-34(21-42(39)89(76,77)78)57-61-46-44(91(82,83)84)15-27-5-7-33(18-36(27)48(46)63)55-59-38-12-9-29(50-23-86(67,68)69)20-41(38)52-25-88(73,74)75;;;;;;;/h1-21,49-53,62-63H,22-25H2,(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84);;;;;;;/q;7*+1/p-7/b58-54+,59-55+,60-56+,61-57+;;;;;;;

InChIKey

KWLBXJOOOYQEFA-ORFRTFOWSA-G

Smiles

c1(cc(ccc1)\N=N\c1c(c2c(cc1S([O-])(=O)=O)ccc(\N=N\c1c(cc(cc1)NCS([O-])(=O)=O)NCS([O-])(=O)=O)c2)O)Nc1c(cc(\N=N\c2c(c3c(cc2S([O-])(=O)=O)ccc(c3)\N=N\c2c(cc(cc2)NCS([O-])(=O)=O)NCS([O-])(=O)=O)O)cc1)S([O-])(=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 1gm/kg (1000mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1293, 1986.
rat LD50 intravenous 300mg/kg (300mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1293, 1986.