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Substance Name: 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
RN: 89246-74-2
InChIKey: OYPWDSMGPRCGLZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O2

Molecular Weight

  • 234.297
 
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Names and Synonyms

Synonyms

  • 1-Ethoxy-4-(1-iminoethyl)-5,6,7,8-tetrahydro-cyclohexa(c)pyridin-3-ol
  • 3-Isoquinolinol, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-
  • 5,6,7,8-Tetrahydro-1-ethoxy-4-(1-iminoethyl)-3(2H)-isoquinolinone

Systematic Name

  • 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-ethoxy-4-(1-iminoethyl)-

Registry Numbers

CAS Registry Number

  • 89246-74-2

System Generated Number

  • 0089246742

Structure Descriptors

InChI

1S/C13H18N2O2/c1-3-17-13-10-7-5-4-6-9(10)11(8(2)14)12(16)15-13/h14H,3-7H2,1-2H3,(H,15,16)

InChIKey

OYPWDSMGPRCGLZ-UHFFFAOYSA-N

Smiles

c12c(c([nH]c(c1C(C)=N)=O)OCC)CCCC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   British UK Patent Application. Vol. #2117765,
mouse LD50 oral 1gm/kg (1000mg/kg)   British UK Patent Application. Vol. #2117765,
rat LD50 intraperitoneal 100mg/kg (100mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 845, 1987.