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Substance Name: Benzoic acid, 3-(2,6-diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodo-
RN: 99970-78-2
InChIKey: YWLBBCDGLUBCMB-FMQUCBEESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H8-I3-N5-O3

Molecular Weight

  • 650.927
 
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Names and Synonyms

Synonyms

  • 2,4,6-Triiodo-3-(2,6-diamino-4-hydroxypyridylazo)benzoic acid
  • 3-(2,6-Diamino-4-hydroxy-3-pyridylazo)-2,4,6-triiodobenzoic acid
  • BRN 0501153

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 99970-78-2

System Generated Number

  • 0099970782

Structure Descriptors

InChI

1S/C12H8I3N5O3/c13-3-1-4(14)9(8(15)7(3)12(22)23)19-20-10-5(21)2-6(16)18-11(10)17/h1-2H,(H,22,23)(H5,16,17,18,21)/b20-19+

InChIKey

YWLBBCDGLUBCMB-FMQUCBEESA-N

Smiles

c1(c(c(c(I)cc1I)C(O)=O)I)\N=N\c1c(cc(N)nc1N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 21gm/kg (21000mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 35, Pg. 423, 1960.
mouse LD50 intravenous 780mg/kg (780mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 35, Pg. 423, 1960.