Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: beta-Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-
RN: 49755-81-9
InChIKey: PGMIGSJOVKTOBC-UHFFFAOYSA-N

Molecular Formula

  • C14-H14-I3-N3-O5

Molecular Weight

  • 684.981
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • BRN 2402033
  • N-(3-Acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-beta-alanine

Systematic Name

  • beta-Alanine, N-(3-acetamido-5-methylcarbamoyl-2,4,6-triiodobenzoyl)-

Registry Numbers

CAS Registry Number

  • 49755-81-9

System Generated Number

  • 0049755819

Structure Descriptors

InChI

1S/C14H14I3N3O5/c1-5(21)20-12-10(16)7(13(24)18-2)9(15)8(11(12)17)14(25)19-4-3-6(22)23/h3-4H2,1-2H3,(H,18,24)(H,19,25)(H,20,21)(H,22,23)

InChIKey

PGMIGSJOVKTOBC-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)NC(C)=O)C(NC)=O)I)C(NCCC(O)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 10500mg/kg (10500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 10, Pg. 84, 1975.