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Substance Name: 3(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-1-(hexyloxy)-4-(1-iminoethyl)-
RN: 89246-77-5
InChIKey: VQTMZHFEYUJCCN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N2-O2

Molecular Weight

  • 290.404
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89246-77-5

System Generated Number

  • 0089246775

Structure Descriptors

InChI

1S/C17H26N2O2/c1-3-4-5-8-11-21-17-14-10-7-6-9-13(14)15(12(2)18)16(20)19-17/h18H,3-11H2,1-2H3,(H,19,20)

InChIKey

VQTMZHFEYUJCCN-UHFFFAOYSA-N

Smiles

c12c(c([nH]c(c1C(C)=N)=O)OCCCCCC)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.