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Substance Name: Crotonic acid, 4-(2,4,6-triiodophenoxy)-
RN: 90800-26-3
InChIKey: NELVKAUNCZYYSO-OWOJBTEDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H7-I3-O3

Molecular Weight

  • 555.862
 
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Names and Synonyms

Synonyms

  • 2,4,6-Trijod-gamma-phenoxy-crotonsaeure
  • 2,4,6-Trijod-gamma-phenoxy-crotonsaeure [German]
  • 4-(2,4,6-Triiodophenoxy)crotonic acid
  • 4-06-00-01086 (Beilstein Handbook Reference)
  • BRN 3143349

Systematic Name

  • Crotonic acid, 4-(2,4,6-triiodophenoxy)-

Registry Numbers

CAS Registry Number

  • 90800-26-3

System Generated Number

  • 0090800263

Structure Descriptors

InChI

1S/C10H7I3O3/c11-6-4-7(12)10(8(13)5-6)16-3-1-2-9(14)15/h1-2,4-5H,3H2,(H,14,15)/b2-1+

InChIKey

NELVKAUNCZYYSO-OWOJBTEDSA-N

Smiles

c1(c(cc(I)cc1I)I)OC\C=C\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 330mg/kg (330mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Pharmazie. Vol. 18, Pg. 642, 1963.
mouse LD50 oral > 6gm/kg (6000mg/kg)   Pharmazie. Vol. 18, Pg. 642, 1963.