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Substance Name: Aurintricarboxylic acid
RN: 4431-00-9
InChIKey: GIXWDMTZECRIJT-UHFFFAOYSA-N

Note

  • A dye which inhibits protein biosynthesis at the initial stages. The ammonium salt (aluminon) is a reagent for the colorimetric estimation of aluminum in water, foods, and tissues.

Classification Code

  • Mutation Data

Molecular Formula

  • C22-H14-O9

Molecular Weight

  • 422.344
 
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Names and Synonyms

Name of Substance

  • Aurintricarboxylic acid

MeSH Heading

  • Aurintricarboxylic acid

Synonyms

  • 4-10-00-04161 (Beilstein Handbook Reference)
  • Aluminon free acid
  • Aurintricarboxylic acid
  • BRN 2228904
  • EINECS 224-628-1
  • NSC 4056

Systematic Names

  • 1,4-Cyclohexadiene-1-carboxylic acid, 3-(bis(3-carboxy-4-hydroxyphenyl)methylene)-6-oxo-
  • 5,5'-(3-Carboxy-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylic acid)
  • Benzoic acid, 3,3'-((3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methylene)bis(6-hydroxy-
  • Benzoic acid, 5-((3-carboxy-4-hydroxyphenyl)(3-carboxy-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-2-hydroxy-

Registry Numbers

CAS Registry Number

  • 4431-00-9

Other Registry Number

  • 857155-55-6

Related Registry Numbers

  • 13186-45-3 (tri-hydrochloride salt)
  • 569-58-4 (tri-ammonium salt)
  • 63451-31-0 (calcium (2:3) salt)
  • 93480-02-5 (calcium (1:3) salt)

System Generated Number

  • 0004431009

Structure Descriptors

InChI

1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31)

InChIKey

GIXWDMTZECRIJT-UHFFFAOYSA-N

Smiles

C(\c1cc(c(O)cc1)C(O)=O)(c1cc(c(O)cc1)C(O)=O)=C1\C=C(C(=O)C=C1)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 340mg/kg (340mg/kg)   Biochemical and Biophysical Research Communications. Vol. 136, Pg. 64, 1986.