Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate
RN: 29125-67-5
InChIKey: YVIVBMHZSGPWKQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H30-N-O3.Br

Molecular Weight

  • 472.42
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Butyl-3-(9-xanthenylcarboxy)quinuclidinium bromide
  • 1-Butyl-3-hydroxyquinuclidinium bromide xanthene-9-carboxylate

Systematic Name

  • Quinuclidinium, 1-butyl-3-hydroxy-, bromide, xanthene-9-carboxylate

Registry Numbers

CAS Registry Number

  • 29125-67-5

System Generated Number

  • 0029125675

Molecular Formulas

Molecular Formula

  • C25-H30-N-O3.Br

Molecular Formula Fragments

  • Br
  • C25-H30-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C25H30NO3.BrH/c1-2-3-14-26-15-12-18(13-16-26)23(17-26)29-25(27)24-19-8-4-6-10-21(19)28-22-11-7-5-9-20(22)24;/h4-11,18,23-24H,2-3,12-17H2,1H3;1H/q+1;/p-1

InChIKey

YVIVBMHZSGPWKQ-UHFFFAOYSA-M

Smiles

C1CC2[C@@H](OC(C3c4c(Oc5c3cccc5)cccc4)=O)C[N+]1(CCCC)CC2.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 2200ug/kg (2.2mg/kg)   United States Patent Document. Vol. #3714357,
mouse LDLo subcutaneous 80mg/kg (80mg/kg)   United States Patent Document. Vol. #3714357,