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Substance Name: Hydrocinnamic acid, p-(3-amino-2,4,6-triiodobenzamido)-
RN: 22708-48-1
InChIKey: MFJHJTQAGFREML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H13-I3-N2-O3

Molecular Weight

  • 661.99
 
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Names and Synonyms

Synonyms

  • Benzenepropanoic acid, 4-((3-amino-2,4,6-triiodobenzoyl)amino)-
  • beta-(4-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure
  • beta-(4-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure [German]
  • BRN 2904541
  • p-(3-Amino-2,4,6-triiodobenzamido)hydrocinnamic acid

Systematic Name

  • Hydrocinnamic acid, p-(3-amino-2,4,6-triiodobenzamido)-

Registry Numbers

CAS Registry Number

  • 22708-48-1

System Generated Number

  • 0022708481

Structure Descriptors

InChI

1S/C16H13I3N2O3/c17-10-7-11(18)15(20)14(19)13(10)16(24)21-9-4-1-8(2-5-9)3-6-12(22)23/h1-2,4-5,7H,3,6,20H2,(H,21,24)(H,22,23)

InChIKey

MFJHJTQAGFREML-UHFFFAOYSA-N

Smiles

c1(ccc(NC(c2c(cc(c(c2I)N)I)I)=O)cc1)CCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 350mg/kg (350mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.