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Substance Name: 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-(hexahydro-1H-azepin-1-yl)ethoxymethyl)-, hydrochloride
RN: 13388-10-8
InChIKey: VKTSSKLXKXJXCH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N-O.Cl-H

Molecular Weight

  • 397.987
 
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Names and Synonyms

Synonyms

  • 11-(2-(Hexahydro-1H-azepin-1-yl)ethoxymethyl)-9,10-dihydro-9,10-ethanoanthracene HCl
  • 9,10-Dihydro-11-(2-(hexahydro-1H-azepin-1-yl)ethoxymethyl)-9,10-ethanoanthracene HCl

Systematic Name

  • 9,10-Ethanoanthracene, 9,10-dihydro-11-(2-(hexahydro-1H-azepin-1-yl)ethoxymethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 13388-10-8

System Generated Number

  • 0013388108

Molecular Formulas

Molecular Formula

  • C25-H31-N-O.Cl-H

Molecular Formula Fragments

  • C25-H31-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31NO.ClH/c1-2-8-14-26(13-7-1)15-16-27-18-19-17-24-20-9-3-5-11-22(20)25(19)23-12-6-4-10-21(23)24;/h3-6,9-12,19,24-25H,1-2,7-8,13-18H2;1H

InChIKey

VKTSSKLXKXJXCH-UHFFFAOYSA-N

Smiles

C([C@@H]1C2c3ccccc3C(C1)c1ccccc21)OCCN1CCCCCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 86, 1967.