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Substance Name: 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-(1-methylethoxy)-
RN: 89246-76-4
InChIKey: PUGKMRZCKHFDGY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N2-O2

Molecular Weight

  • 248.324
 
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Names and Synonyms

Synonyms

  • 3-Isoquinolinol, 5,6,7,8-tetrahydro-4-(1-iminoethyl)-1-isopropoxy-
  • 5,6,7,8-Tetrahydro-4-(1-iminoethyl)-1-isopropoxy-3(2H)-isoquinolinone

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89246-76-4

System Generated Number

  • 0089246764

Structure Descriptors

InChI

1S/C14H20N2O2/c1-8(2)18-14-11-7-5-4-6-10(11)12(9(3)15)13(17)16-14/h8,15H,4-7H2,1-3H3,(H,16,17)

InChIKey

PUGKMRZCKHFDGY-UHFFFAOYSA-N

Smiles

c12c(c([nH]c(c1C(C)=N)=O)OC(C)C)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 600mg/kg (600mg/kg)   Farmaco, Edizione Scientifica. Vol. 42, Pg. 845, 1987.