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Substance Name: 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(benzoyloxy)-, 3-(O-methyloxime), (E)-
RN: 145071-54-1
InChIKey: SXXUSDSNXCLMGB-XNTDXEJSSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O3

Molecular Weight

  • 260.2914
 
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Names and Synonyms

Synonyms

  • (E)-1,2,5,6-Tetrahydro-1-(benzoyloxy)-3-pyridinecarboxaldehyde 3-(O-methyloxime)
  • BRN 5820842

Systematic Name

  • 3-Pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(benzoyloxy)-, 3-(O-methyloxime), (E)-

Registry Numbers

CAS Registry Number

  • 145071-54-1

System Generated Number

  • 0145071541

Structure Descriptors

InChI

1S/C14H16N2O3/c1-18-15-10-12-6-5-9-16(11-12)19-14(17)13-7-3-2-4-8-13/h2-4,6-8,10H,5,9,11H2,1H3/b15-10+

InChIKey

SXXUSDSNXCLMGB-XNTDXEJSSA-N

Smiles

CO/N=C/C1=CCCN(C1)OC(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 90mg/kg (90mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 27, Pg. 519, 1992.