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Substance Name: Coumarin, 3-(3-pyridyl)-, N-oxide
RN: 958-55-4
InChIKey: JQUCVNISFSPHEZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H9-N-O3

Molecular Weight

  • 239.229
 
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Names and Synonyms

Synonyms

  • 3-(3-Pyridyl)coumarin N-oxide
  • BRN 0884742

Systematic Name

  • Coumarin, 3-(3-pyridyl)-, N-oxide

Registry Numbers

CAS Registry Number

  • 958-55-4

System Generated Number

  • 0000958554

Structure Descriptors

InChI

1S/C14H9NO3/c16-14-12(11-5-3-7-15(17)9-11)8-10-4-1-2-6-13(10)18-14/h1-9H

InChIKey

JQUCVNISFSPHEZ-UHFFFAOYSA-N

Smiles

c1(c2c[n+](ccc2)[O-])cc2c(cccc2)oc1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1780mg/kg (1780mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 446, 1964.