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Substance Name: Ethanone, 1-(4-pyridinyl)-, O-2-propenyloxime, (Z)-2-butenedioate (1:1)
RN: 72990-30-8
InChIKey: YBJIAOAMOAWLAW-JSJKVJQDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H12-N2-O.C4-H4-O4

Molecular Weight

  • 292.2894
 
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Names and Synonyms

Synonym

  • 1-(4-Pyridinyl)ethanone O-allyloxime fumarate

Systematic Name

  • Ethanone, 1-(4-pyridinyl)-, O-2-propenyloxime, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 72990-30-8

System Generated Number

  • 0072990308

Molecular Formulas

Molecular Formula

  • C10-H12-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C10-H12-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C10H12N2O.C4H4O4/c1-3-8-13-12-9(2)10-4-6-11-7-5-10;5-3(6)1-2-4(7)8/h3-7H,1,8H2,2H3;1-2H,(H,5,6)(H,7,8)/b12-9-;2-1+

InChIKey

YBJIAOAMOAWLAW-JSJKVJQDSA-N

Smiles

C/C(=N/OCC=C)/c1ccncc1.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 562mg/kg (562mg/kg)   Journal of Heterocyclic Chemistry. Vol. 16, Pg. 1459, 1979.