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Substance Name: Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-
RN: 90778-77-1
InChIKey: PGJSRHQQPJGOAT-GGWOSOGESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N-O5

Molecular Weight

  • 303.312
 
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Names and Synonyms

Synonyms

  • 2-((5-(1,3-Benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)butanoic acid
  • Butyric acid, 2-(5-(3,4-(methylenedioxy)phenyl)-2,4-pentadienamido)-

Systematic Name

  • Butanoic acid, 2-((5-(1,3-benzodioxol-5-yl)-1-oxo-2,4-pentadienyl)amino)-

Registry Numbers

CAS Registry Number

  • 90778-77-1

System Generated Number

  • 0090778771

Structure Descriptors

InChI

1S/C16H17NO5/c1-2-12(16(19)20)17-15(18)6-4-3-5-11-7-8-13-14(9-11)22-10-21-13/h3-9,12H,2,10H2,1H3,(H,17,18)(H,19,20)/b5-3+,6-4+

InChIKey

PGJSRHQQPJGOAT-GGWOSOGESA-N

Smiles

C([C@@H](CC)NC(\C=C\C=C\c1cc2OCOc2cc1)=O)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 2gm/kg (2000mg/kg)   Yakhak Hoe Chi. Journal of the Pharmaceutical Society. Vol. 27, Pg. 289, 1983.