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Substance Name: 6-Isoquinolinol, decahydro-2-methyl-, 3,4-dichlorobenzoate, (E)-
RN: 57464-39-8
InChIKey: AJOVZKGFRZEWHS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-Cl2-N-O2

Molecular Weight

  • 342.264
 
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Names and Synonyms

Synonyms

  • trans-6-(3,4-Dichlorobenzoyloxy)-2-methyldecahydroisoquinoline
  • trans-Decahydro-2-methyl-6-isoquinolinol 3,4-dichlorobenzoate

Systematic Name

  • 6-Isoquinolinol, decahydro-2-methyl-, 3,4-dichlorobenzoate, (E)-

Registry Numbers

CAS Registry Number

  • 57464-39-8

System Generated Number

  • 0057464398

Structure Descriptors

InChI

1S/C17H21Cl2NO2/c1-20-7-6-11-8-14(4-2-13(11)10-20)22-17(21)12-3-5-15(18)16(19)9-12/h3,5,9,11,13-14H,2,4,6-8,10H2,1H3

InChIKey

AJOVZKGFRZEWHS-UHFFFAOYSA-N

Smiles

C1[C@@H]2[C@@H](CC[C@@H]1OC(c1cc(c(Cl)cc1)Cl)=O)C[N@@](C)CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 387mg/kg (387mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 1227, 1975.