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Substance Name: Hydrocinnamic acid, alpha-ethyl-3-(2-oxopiperidino)-2,4,6-triiodo-, sodium salt
RN: 21762-18-5
InChIKey: SKHQUQQKCKCRNK-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-I3-N-O3.Na

Molecular Weight

  • 675.004
 
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Names and Synonyms

Synonym

  • alpha-Ethyl-3-(2-oxopiperidino)-2,4,6-triiodohydrocinnamic acid sodium salt

Systematic Name

  • Hydrocinnamic acid, alpha-ethyl-3-(2-oxopiperidino)-2,4,6-triiodo-, sodium salt

Registry Numbers

CAS Registry Number

  • 21762-18-5

System Generated Number

  • 0021762185

Molecular Formulas

Molecular Formula

  • C16-H17-I3-N-O3.Na

Molecular Formula Fragments

  • C16-H17-I3-N-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H18I3NO3.Na/c1-2-9(16(22)23)7-10-11(17)8-12(18)15(14(10)19)20-6-4-3-5-13(20)21;/h8-9H,2-7H2,1H3,(H,22,23);/q;+1/p-1

InChIKey

SKHQUQQKCKCRNK-UHFFFAOYSA-M

Smiles

c1(N2C(CCCC2)=O)c(c(C[C@@H](C(=O)[O-])CC)c(I)cc1I)I.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1200mg/kg (1200mg/kg)   Pharmazie. Vol. 30, Pg. 78, 1975.
mouse LD50 oral 2gm/kg (2000mg/kg)   Pharmazie. Vol. 30, Pg. 78, 1975.