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Substance Name: Hydrocinnamic acid, m-(3-amino-2,4,6-triiodobenzamido)-
RN: 22708-47-0
InChIKey: LYYDOVGTHINNFB-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, 3-((3-amino-2,4,6-triiodobenzoyl)amino)-
  • beta-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure
  • beta-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-propionsaure [German]
  • BRN 2907587
  • m-(3-Amino-2,4,6-triiodobenzamido)hydrocinnamic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22708-47-0

System Generated Number

  • 0022708470

Structure Descriptors

InChI

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

InChIKey

LYYDOVGTHINNFB-UHFFFAOYSA-N

Smiles

c1(cc(NC(c2c(c(c(cc2I)I)N)I)=O)ccc1)CCC(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 700mg/kg (700mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.