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Substance Name: 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, p-toluenesulfonate (ester)
RN: 6837-93-0
InChIKey: ZIQWUYNDHGXLIN-UHFFFAOYSA-N

Classification Code

  • Skin / Eye Irritant

Molecular Formula

  • C17-H15-N-O9-S3

Molecular Weight

  • 473.501
 
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Names and Synonyms

Synonyms

  • 1-Amino-3,6-disulfo-8-naftylester kyselina p-toluensulfonove
  • 1-Amino-3,6-disulfo-8-naftylester kyselina p-toluensulfonove [Czech]
  • 2-14-00-00503 (Beilstein Handbook Reference)
  • 4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid p-toluenesulfonate (ester)
  • BRN 3124026
  • Kyselina 8-p-toluensulfonyloxy-1-naftylamin-3,6-disulfonova
  • Kyselina 8-p-toluensulfonyloxy-1-naftylamin-3,6-disulfonova [Czech]
  • Kyselina o-tosyl-h
  • Kyselina O-tosyl-H [Czech]
  • NSC 16168

Systematic Names

  • 2,7-Naphthalenedisulfonic acid, 4-amino-5-(((4-methylphenyl)sulfonyl)oxy)- (9CI)
  • 2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-, p-toluenesulfonate (ester)

Registry Numbers

CAS Registry Number

  • 6837-93-0

System Generated Number

  • 0006837930

Structure Descriptors

InChI

1S/C17H15NO9S3/c1-10-2-4-12(5-3-10)30(25,26)27-16-9-14(29(22,23)24)7-11-6-13(28(19,20)21)8-15(18)17(11)16/h2-9H,18H2,1H3,(H,19,20,21)(H,22,23,24)

InChIKey

ZIQWUYNDHGXLIN-UHFFFAOYSA-N

Smiles

c12c(c(cc(c1)S(O)(=O)=O)OS(c1ccc(C)cc1)(=O)=O)c(cc(c2)S(O)(=O)=O)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 11500mg/kg (11500mg/kg)   "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1063, 1986.