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Substance Name: 1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)-
RN: 89246-48-0
InChIKey: BQLDRFBEORSSIK-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

  • 2-Ethyl-3-hydroxy-4-(1-iminoethyl)-5,6,7,8-tetrahydroisoquinolin-1(2H)-one
  • 5,6,7,8-Tetrahydro-2-ethyl-3-hydroxy-4-(1-iminoethyl)isoquinolin-1(2H)-one

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89246-48-0

System Generated Number

  • 0089246480

Structure Descriptors

InChI

1S/C13H18N2O2/c1-3-15-12(16)10-7-5-4-6-9(10)11(8(2)14)13(15)17/h14,17H,3-7H2,1-2H3

InChIKey

BQLDRFBEORSSIK-UHFFFAOYSA-N

Smiles

c12c(c(n(CC)c(c1C(C)=N)O)=O)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 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 845, 1987.