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Substance Name: 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate
RN: 69766-47-8
InChIKey: QLCKKZRFIQOLTD-UHFFFAOYSA-M

Molecular Formula

  • C22-H26-N-O2.Br

Molecular Weight

  • 416.356
 
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Names and Synonyms

Synonyms

  • Azabicyclooctanol methyl bromide diphenylacetate
  • Ro 2-3951

Systematic Name

  • 1-Azoniabicyclo(3.2.1)octan-6-ol, 1-methyl-, bromide, diphenylacetate

Registry Numbers

CAS Registry Number

  • 69766-47-8

System Generated Number

  • 0069766478

Molecular Formulas

Molecular Formula

  • C22-H26-N-O2.Br

Molecular Formula Fragments

  • Br
  • C22-H26-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26NO2.BrH/c1-23-14-8-13-19(15-23)20(16-23)25-22(24)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,19-21H,8,13-16H2,1H3;1H/q+1;/p-1

InChIKey

QLCKKZRFIQOLTD-UHFFFAOYSA-M

Smiles

C(c1ccccc1)(c1ccccc1)C(O[C@@H]1[C@@H]2C[N@@+](C1)(CCC2)C)=O.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.
mouse LD50 intravenous 4mg/kg (4mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 284, 1952.