Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 9-butyl-9-methyl-7-((1-oxo-2-propylpentyl)oxy)-, bromide, stereoisomer
RN: 96336-31-1
InChIKey: JJTNTCCKNJGLNB-OLKXVHDASA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H36-N-O3.Br

Molecular Weight

  • 418.4124
 
* 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

  • 3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 9-butyl-9-methyl-7-((1-oxo-2-propylpentyl)oxy)-, bromide, stereoisomer

Registry Numbers

CAS Registry Number

  • 96336-31-1

System Generated Number

  • 0096336311

Molecular Formulas

Molecular Formula

  • C20-H36-N-O3.Br

Molecular Formula Fragments

  • Br
  • C20-H36-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C20H36NO3.BrH/c1-5-8-11-21(4)16-12-15(13-17(21)19-18(16)24-19)23-20(22)14(9-6-2)10-7-3;/h14-19H,5-13H2,1-4H3;1H/q+1;/p-1/t15?,16-,17-,18-,19+,21?;/m0./s1

InChIKey

JJTNTCCKNJGLNB-OLKXVHDASA-M

Smiles

CCCC[N+]1([C@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CCC)CCC)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 105mg/kg (105mg/kg)   United States Patent Document. Vol. #4558054,