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Substance Name: Hydrocinnamic acid, m-(3-(((dimethylamino)methylene)amino)-2,4,6-triiodobenzamido)-alpha-ethyl-, monohydrochloride
RN: 22708-50-5
InChIKey: WRCVUKGOXHUTDZ-ZRASAZTRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H22-I3-N3-O3.Cl-H

Molecular Weight

  • 781.584
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 22708-50-5

System Generated Number

  • 0022708505

Molecular Formulas

Molecular Formula

  • C21-H22-I3-N3-O3.Cl-H

Molecular Formula Fragments

  • C21-H22-I3-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22I3N3O3.ClH/c1-4-13(21(29)30)8-12-6-5-7-14(9-12)26-20(28)17-15(22)10-16(23)19(18(17)24)25-11-27(2)3;/h5-7,9-11,13H,4,8H2,1-3H3,(H,26,28)(H,29,30);1H/b25-11+;

InChIKey

WRCVUKGOXHUTDZ-ZRASAZTRSA-N

Smiles

c1(C[C@@H](C(O)=O)CC)cccc(c1)NC(c1c(c(c(cc1I)I)\N=C\N(C)C)I)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 670mg/kg (670mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.
mouse LD50 oral 1550mg/kg (1550mg/kg)   Helvetica Chimica Acta. Vol. 52, Pg. 1339, 1969.