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Substance Name: Direct yellow 96, tetramethylammonium salt
RN: 131013-83-7
InChIKey: LHFXJHQDOAGCIB-XOKTVSOFSA-N

Molecular Formula

  • C39-H30-N10-O13-S4.4C4-H12-N

Molecular Weight

  • 1275.6
 
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Names and Synonyms

Results Name

  • Direct yellow 96, tetramethylammonium salt

Synonyms

  • Direct yellow 96, tetramethylammonium salt
  • EC 405-950-3

Systematic Names

  • 1,5-Naphthalenedisulfonic acid, 3,3'-((6-((2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis-, ion(4-), tetrakis(N,N,N-trimethylmethanaminium)
  • Methanaminium, N,N,N-trimethyl-, salt with 3,3'-((6-((2-hydroxyethyl)amino)-1,3,5-triazine-2,4-diyl)bis(imino(2-methyl-4,1-phenylene)azo))bis(1,5-naphthalenedisulfonic acid) (4:1)
  • Tetrakis(tetramethylammonium)-3,3'-(6-(2-hydroxyethylamino)-1,3,5-triazine-2,4-diylbisimino(2-methyl-4,1-phenyleneazo))bisnaphthalene-1,5-disulfonate

Registry Numbers

CAS Registry Number

  • 131013-83-7

System Generated Number

  • 0131013837

Molecular Formulas

Molecular Formula

  • C39-H30-N10-O13-S4.4C4-H12-N

Molecular Formula Fragments

  • C39-H30-N10-O13-S4
  • C4-H12-N
  • COMPONENT

Structure Descriptors

InChI

1S/C39H34N10O13S4.4C4H12N/c1-21-15-23(9-11-31(21)48-46-25-17-29-27(35(19-25)65(57,58)59)5-3-7-33(29)63(51,52)53)41-38-43-37(40-13-14-50)44-39(45-38)42-24-10-12-32(22(2)16-24)49-47-26-18-30-28(36(20-26)66(60,61)62)6-4-8-34(30)64(54,55)56;4*1-5(2,3)4/h3-12,15-20,50H,13-14H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,40,41,42,43,44,45);4*1-4H3/q;4*+1/b48-46+,49-47+;;;;

InChIKey

LHFXJHQDOAGCIB-XOKTVSOFSA-N

Smiles

[N+](C)(C)(C)C.n1c(Nc2cc(C)c(cc2)\N=N\c2cc(c3cccc(c3c2)S(=O)(=O)O)S(=O)(=O)O)nc(Nc2cc(c(cc2)\N=N\c2cc(c3cccc(c3c2)S(=O)(=O)O)S(=O)(=O)O)C)nc1NCCO.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 203mg/kg (203mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR
National Technical Information Service. Vol. OTS0535825,