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Substance Name: 1,3-Benzenediol, 5-(6,7-dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrobromide, endo-(+-)-
RN: 61098-57-5
InChIKey: XSURMTWDBCHWSU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N-O2.Br-H

Molecular Weight

  • 328.2478
 
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Names and Synonyms

Synonym

  • endo-(+-)-5-(6,7-Dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-1,3-benzenediol hydrobromide

Systematic Name

  • 1,3-Benzenediol, 5-(6,7-dimethyl-6-azabicyclo(3.2.1)oct-1-yl)-, hydrobromide, endo-(+-)-

Registry Numbers

CAS Registry Number

  • 61098-57-5

System Generated Number

  • 0061098575

Molecular Formulas

Molecular Formula

  • C15-H21-N-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C15-H21-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21NO2.BrH/c1-10-15(5-3-4-12(9-15)16(10)2)11-6-13(17)8-14(18)7-11;/h6-8,10,12,17-18H,3-5,9H2,1-2H3;1H

InChIKey

XSURMTWDBCHWSU-UHFFFAOYSA-N

Smiles

CC1C2(CCCC(C2)N1C)c3cc(cc(c3)O)O.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 100mg/kg (100mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 221, 1977.