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Substance Name: Valeric acid, 2-(m-(3-amino-2,4,6-triiodobenzamido)phenoxy)-
RN: 22708-41-4
InChIKey: PWIIQDYOBQWIDT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-I3-N2-O4

Molecular Weight

  • 706.042
 
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Names and Synonyms

Synonyms

  • 2-(m-(3-Amino-2,4,6-triiodobenzamido)phenoxy)valeric acid
  • alpha-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenoxy)-valeriansaure
  • alpha-(3-(3-Amino-2,4,6-trijod-benzoylamino)-phenoxy)-valeriansaure [German]
  • BRN 2790317
  • Pentanoic acid, 2-(3-((3-amino-2,4,6-triiodobenzoyl)amino)phenoxy)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 22708-41-4

System Generated Number

  • 0022708414

Structure Descriptors

InChI

1S/C18H17I3N2O4/c1-2-4-13(18(25)26)27-10-6-3-5-9(7-10)23-17(24)14-11(19)8-12(20)16(22)15(14)21/h3,5-8,13H,2,4,22H2,1H3,(H,23,24)(H,25,26)

InChIKey

PWIIQDYOBQWIDT-UHFFFAOYSA-N

Smiles

C([C@@H](CCC)Oc1cc(ccc1)NC(c1c(c(c(cc1I)I)N)I)=O)(=O)O

Toxicity

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