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Substance Name: beta-Alanine, N-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-
RN: 29779-53-1
InChIKey: ALWNUKZAJHWDBE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-I4-N2-O5

Molecular Weight

  • 809.885
 
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Names and Synonyms

Synonyms

  • 4-(4-(beta-Carboxyaethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholin
  • 4-(4-(beta-Carboxyaethyl-carbamoyl)-2,3,5,6-tetrajod-benzoyl)-morpholin [German]
  • BRN 1180694
  • N-(4-(4-Morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)beta-alanine

Systematic Name

  • beta-Alanine, N-(4-(4-morpholinylcarbonyl)-2,3,5,6-tetraiodobenzoyl)-

Registry Numbers

CAS Registry Number

  • 29779-53-1

System Generated Number

  • 0029779531

Structure Descriptors

InChI

1S/C15H14I4N2O5/c16-10-8(14(24)20-2-1-7(22)23)11(17)13(19)9(12(10)18)15(25)21-3-5-26-6-4-21/h1-6H2,(H,20,24)(H,22,23)

InChIKey

ALWNUKZAJHWDBE-UHFFFAOYSA-N

Smiles

C(CCNC(c1c(c(c(c(c1I)I)C(=O)N1CCOCC1)I)I)=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3400mg/kg (3400mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.
mouse LD50 oral > 4gm/kg (4000mg/kg)   Helvetica Chimica Acta. Vol. 54, Pg. 2097, 1971.