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Substance Name: 1-Azoniabicyclo(2.2.2)octane, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide
RN: 155272-59-6
InChIKey: RIQRCCQTTCVTEF-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N-O4.Br

Molecular Weight

  • 396.2788
 
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Names and Synonyms

Synonym

  • Quinuclidinium, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide

Systematic Name

  • 1-Azoniabicyclo(2.2.2)octane, 3-hydroxy-1-(2-((2-oxo-2H-1-benzopyran-7-yl)oxy)ethyl)-, bromide

Registry Numbers

CAS Registry Number

  • 155272-59-6

System Generated Number

  • 0155272596

Molecular Formulas

Molecular Formula

  • C18-H22-N-O4.Br

Molecular Formula Fragments

  • Br
  • C18-H22-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H22NO4.BrH/c20-16-12-19(7-5-13(16)6-8-19)9-10-22-15-3-1-14-2-4-18(21)23-17(14)11-15;/h1-4,11,13,16,20H,5-10,12H2;1H/q+1;/p-1

InChIKey

RIQRCCQTTCVTEF-UHFFFAOYSA-M

Smiles

c1cc(cc2c1ccc(=O)o2)OCC[N+]34CCC(CC3)C(C4)O.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 287mg/kg (287mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 766, 1993.