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Substance Name: beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-
RN: 57469-53-1
InChIKey: FJAOSUKULWWOPX-UHFFFAOYSA-N

Molecular Formula

  • C14-H14-I3-N3-O6

Molecular Weight

  • 700.9796
 
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Names and Synonyms

Synonyms

  • BRN 2918821
  • N-(3-Carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-beta-alanine

Systematic Name

  • beta-Alanine, N-(3-carbamoyl-5-methoxyacetamido-2,4,6-triiodobenzoyl)-

Registry Numbers

CAS Registry Number

  • 57469-53-1

System Generated Number

  • 0057469531

Structure Descriptors

InChI

1S/C14H14I3N3O6/c1-26-4-5(21)20-12-10(16)7(13(18)24)9(15)8(11(12)17)14(25)19-3-2-6(22)23/h2-4H2,1H3,(H2,18,24)(H,19,25)(H,20,21)(H,22,23)

InChIKey

FJAOSUKULWWOPX-UHFFFAOYSA-N

Smiles

COCC(=O)Nc1c(I)c(C(=O)N)c(I)c(C(=O)NCCC(=O)O)c1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 16gm/kg (16000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 84, 1975.