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Substance Name: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-bromo-3-phenylallyl)-8-propionyl-
RN: 1507-85-3
InChIKey: PAUUMXXIFVWHLA-GQCTYLIASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-Br-N2-O

Molecular Weight

  • 363.297
 
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Names and Synonyms

Synonyms

  • 3-(3-Bromo-3-phenylallyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane
  • 5-23-03-00470 (Beilstein Handbook Reference)
  • BRN 0548109

Systematic Name

  • 3,8-Diazabicyclo(3.2.1)octane, 3-(3-bromo-3-phenylallyl)-8-propionyl-

Registry Numbers

CAS Registry Number

  • 1507-85-3

System Generated Number

  • 0001507853

Structure Descriptors

InChI

1S/C18H23BrN2O/c1-2-18(22)21-16-8-9-17(21)13-20(12-16)10-4-6-14-5-3-7-15(19)11-14/h3-7,11,16-17H,2,8-10,12-13H2,1H3/b6-4+

InChIKey

PAUUMXXIFVWHLA-GQCTYLIASA-N

Smiles

N1([C@@H]2CN(C\C=C\c3cc(ccc3)Br)C[C@@H]1CC2)C(CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 326, 1965.