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Substance Name: Hydrocinnamic acid, m-(3-amino-2,4,6-triiodobenzamido)-alpha-ethyl-
RN: 22708-49-2
InChIKey: IGJCELRBMHIAHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-I3-N2-O3

Molecular Weight

  • 690.043
 
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Names and Synonyms

Synonyms

  • Benzenepropanoic acid, 3-((3-amino-2,4,6-triiodobenzoyl)amino)-alpha-ethyl-
  • beta-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-alpha-aethyl-propionsaure
  • beta-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenyl)-alpha-aethyl-propionsaure [German]
  • BRN 2787157
  • m-(3-Amino-2,4,6-triiodobenzamido)-alpha-ethylhydrocinnamic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22708-49-2

System Generated Number

  • 0022708492

Structure Descriptors

InChI

1S/C18H17I3N2O3/c1-2-10(18(25)26)6-9-4-3-5-11(7-9)23-17(24)14-12(19)8-13(20)16(22)15(14)21/h3-5,7-8,10H,2,6,22H2,1H3,(H,23,24)(H,25,26)

InChIKey

IGJCELRBMHIAHU-UHFFFAOYSA-N

Smiles

c1(cccc(NC(c2c(c(c(cc2I)I)N)I)=O)c1)C[C@@H](C(O)=O)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 850mg/kg (850mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.
mouse LD50 oral 4gm/kg (4000mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.