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Substance Name: 9,10-Ethanoanthracene, 9,10-dihydro-11-(3-(dimethylamino)propoxy)-, fumarate
RN: 13500-98-6
InChIKey: YUQPETCDWJOFFG-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O.C4-H4-O4

Molecular Weight

  • 423.506
 
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Names and Synonyms

Synonyms

  • 11-(3-(Dimethylamino)propoxy)-9,10-dihydro-9,10-ethanoanthracene fumarate
  • 9,10-Dihydro-11-(3-(dimethylamino)propoxy)-9,10-ethanoanthracene fumarate

Systematic Name

  • 9,10-Ethanoanthracene, 9,10-dihydro-11-(3-(dimethylamino)propoxy)-, fumarate

Registry Numbers

CAS Registry Number

  • 13500-98-6

System Generated Number

  • 0013500986

Molecular Formulas

Molecular Formula

  • C21-H25-N-O.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-N-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NO.C4H4O4/c1-22(2)12-7-13-23-20-14-19-15-8-3-5-10-17(15)21(20)18-11-6-4-9-16(18)19;5-3(6)1-2-4(7)8/h3-6,8-11,19-21H,7,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YUQPETCDWJOFFG-WLHGVMLRSA-N

Smiles

C(\C(O)=O)=C\C(=O)O.CN(CCCO[C@@H]1C2c3ccccc3C(c3c2cccc3)C1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 10, Pg. 86, 1967.