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Substance Name: 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 8-chlorotheophylline
RN: 14978-20-2
InChIKey: SBMRPVCAHFWHPW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O.C7-H7-Cl-N4-O2

Molecular Weight

  • 508.019
 
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Names and Synonyms

Synonyms

  • 9,10-Dihydro-9-(2-(dimethylamino)ethoxy)-9,10-ethanoanthracene 8-chlorotheophylline
  • 9-(2-(Dimethylamino)ethoxy)-9,10-dihydro-9,10-ethanoanthracene 8-chlorotheophylline

Systematic Name

  • 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-(dimethylamino)ethoxy)-, 8-chlorotheophylline

Registry Numbers

CAS Registry Number

  • 14978-20-2

System Generated Number

  • 0014978202

Molecular Formulas

Molecular Formula

  • C20-H23-N-O.C7-H7-Cl-N4-O2

Molecular Formula Fragments

  • C20-H23-N-O
  • C7-H7-Cl-N4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO.C7H7ClN4O2/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;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-10,18-20H,11-13H2,1-2H3;1-2H3,(H,9,10)

InChIKey

SBMRPVCAHFWHPW-UHFFFAOYSA-N

Smiles

[nH]1c2c(n(c(n(c2nc1Cl)C)=O)C)=O.N(CCO[C@@H]1C2c3ccccc3C(c3c2cccc3)C1)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 164mg/kg (164mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 86, 1967.