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Substance Name: 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 7-theophyllinylacetate
RN: 14656-20-3
InChIKey: OOVULSHFIKZQGX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O.C9-H10-N4-O4

Molecular Weight

  • 531.61
 
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Names and Synonyms

Synonyms

  • 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 7-theophyllinylacetate
  • 9-(2-(Dimethylamino)ethoxy)-9,10-dihydro-9,10-ethanoanthracene 7-theophyllinylacetate

Systematic Name

  • 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 7-theophyllinylacetate

Registry Numbers

CAS Registry Number

  • 14656-20-3

System Generated Number

  • 0014656203

Molecular Formulas

Molecular Formula

  • C20-H23-N-O.C9-H10-N4-O4

Molecular Formula Fragments

  • C20-H23-N-O
  • C9-H10-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO.C9H10N4O4/c1-21(2)11-12-22-19-13-18-14-7-3-5-9-16(14)20(19)17-10-6-4-8-15(17)18;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h3-10,18-20H,11-13H2,1-2H3;4H,3H2,1-2H3,(H,14,15)

InChIKey

OOVULSHFIKZQGX-UHFFFAOYSA-N

Smiles

n1(cnc2n(c(n(c(c12)=O)C)=O)C)CC(=O)O.CN(CCO[C@@H]1C2c3ccccc3C(c3c2cccc3)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 293mg/kg (293mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 86, 1967.