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Substance Name: 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-
RN: 93943-87-4
InChIKey: LTONXWVJNJCULL-MFOYZWKCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N-O2

Molecular Weight

  • 281.3531
 
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Names and Synonyms

Synonyms

  • 7-Phenyl-7-(3-pyridinyl)-6-heptenoic acid
  • 7-Phenyl-7-(3-pyridyl)-6-heptenoic acid

Systematic Name

  • 6-Heptenoic acid, 7-phenyl-7-(3-pyridinyl)-

Registry Numbers

CAS Registry Number

  • 93943-87-4

System Generated Number

  • 0093943874

Structure Descriptors

InChI

1S/C18H19NO2/c20-18(21)10-6-2-5-9-17(15-7-3-1-4-8-15)16-11-13-19-14-12-16/h1,3-4,7-9,11-14H,2,5-6,10H2,(H,20,21)/b17-9-

InChIKey

LTONXWVJNJCULL-MFOYZWKCSA-N

Smiles

c1ccc(cc1)/C(=C/CCCCC(=O)O)/c2ccncc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4727078,