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Substance Name: Benzoic acid, 3-(2,6-diamino-3-pyridylazo)-2,4,6-triiodo-
RN: 103863-33-8
InChIKey: GHWYVBGIEKNLCB-FMQUCBEESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H8-I3-N5-O2

Molecular Weight

  • 634.928
 
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Names and Synonyms

Synonyms

  • 2,4,6-Triiodo-3-(2,6-diaminopyridylazo)benzoic acid
  • 3-(2,6-Diamino-3-pyridylazo)-2,4,6-triiodobenzoic acid
  • 5-22-14-00712 (Beilstein Handbook Reference)
  • BRN 0449300

Systematic Name

  • Benzoic acid, 3-(2,6-diamino-3-pyridylazo)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 103863-33-8

System Generated Number

  • 0103863338

Structure Descriptors

InChI

1S/C12H8I3N5O2/c13-4-3-5(14)10(9(15)8(4)12(21)22)20-19-6-1-2-7(16)18-11(6)17/h1-3H,(H,21,22)(H4,16,17,18)/b20-19+

InChIKey

GHWYVBGIEKNLCB-FMQUCBEESA-N

Smiles

c1(c(c(c(I)cc1I)C(O)=O)I)\N=N\c1c(nc(N)cc1)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 40gm/kg (40000mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 35, Pg. 423, 1960.
mouse LD50 intravenous 790mg/kg (790mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 35, Pg. 423, 1960.