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Substance Name: 1-Azoniabicyclo(3.3.1)nonan-3-ol, 1-methyl-, alpha-phenyl-2-thienylglycolate, bromide
RN: 73680-93-0
InChIKey: VFZPNJZREMPLCL-UHFFFAOYSA-M

Molecular Formula

  • C21-H26-N-O3-S.Br

Molecular Weight

  • 452.4104
 
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Names and Synonyms

Synonym

  • 1-Azabicyclo(3.3.1)nonanyl phenyl-2-thienylglycolate methobromide

Systematic Name

  • 1-Azoniabicyclo(3.3.1)nonan-3-ol, 1-methyl-, alpha-phenyl-2-thienylglycolate, bromide

Registry Numbers

CAS Registry Number

  • 73680-93-0

System Generated Number

  • 0073680930

Molecular Formulas

Molecular Formula

  • C21-H26-N-O3-S.Br

Molecular Formula Fragments

  • Br
  • C21-H26-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26NO3S.BrH/c1-22-11-5-7-16(14-22)13-18(15-22)25-20(23)21(24,19-10-6-12-26-19)17-8-3-2-4-9-17;/h2-4,6,8-10,12,16,18,24H,5,7,11,13-15H2,1H3;1H/q+1;/p-1

InChIKey

VFZPNJZREMPLCL-UHFFFAOYSA-M

Smiles

[Br-].C[N+]12CCCC(CC(C1)OC(=O)C(O)(c3ccccc3)c4cccs4)C2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8900ug/kg (8.9mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01194,