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Substance Name: 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-
RN: 86867-14-3
InChIKey: HUWCREVZODMUNL-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-N-O3

Molecular Weight

  • 219.2387
 
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Names and Synonyms

Synonyms

  • (E)-4-(4-(Dimethylamino)phenyl)-4-oxo-2-butenoic acid
  • (E)-4-(4-N,N-Dimethylaminophenyl)-4-oxobuten-2-oic acid

Systematic Name

  • 2-Butenoic acid, 4-(4-(dimethylamino)phenyl)-4-oxo-, (E)-

Registry Numbers

CAS Registry Number

  • 86867-14-3

System Generated Number

  • 0086867143

Structure Descriptors

InChI

1S/C12H13NO3/c1-13(2)10-5-3-9(4-6-10)11(14)7-8-12(15)16/h3-8H,1-2H3,(H,15,16)/b8-7+

InChIKey

HUWCREVZODMUNL-BQYQJAHWSA-N

Smiles

CN(C)c1ccc(cc1)C(=O)/C=C/C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 750mg/kg (750mg/kg)   United States Patent Document. Vol. #4486429,