Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Butanaminium, N,N'-((9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxy-3,1-propanediyl))bis(N-butyl-N-methyl-, diiodide, hydrate
RN: 41549-91-1
InChIKey: BRLJZRCAHBULJP-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H60-N2-O5.2I.H2-O

Molecular Weight

  • 890.712
 
* 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

Synonym

  • Bis(3-dibutylaminopropyl)-9-oxofluorene-2,7-dicarboxylate dimethiodide hydrate

Systematic Name

  • 1-Butanaminium, N,N'-((9-oxo-9H-fluorene-2,7-diyl)bis(carbonyloxy-3,1-propanediyl))bis(N-butyl-N-methyl-, diiodide, hydrate

Registry Numbers

CAS Registry Number

  • 41549-91-1

System Generated Number

  • 0041549911

Molecular Formulas

Molecular Formula

  • C39-H60-N2-O5.2I.H2-O

Molecular Formula Fragments

  • C39-H60-N2-O5
  • COMPONENT
  • H2-O
  • I

Structure Descriptors

InChI

1S/C39H60N2O5.2HI/c1-7-11-21-40(5,22-12-8-2)25-15-27-45-38(43)31-17-19-33-34-20-18-32(30-36(34)37(42)35(33)29-31)39(44)46-28-16-26-41(6,23-13-9-3)24-14-10-4;;/h17-20,29-30H,7-16,21-28H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

BRLJZRCAHBULJP-UHFFFAOYSA-L

Smiles

c12c3c(cc(C(OCCC[N+](CCCC)(CCCC)C)=O)cc3)C(c1cc(C(OCCC[N+](CCCC)(CCCC)C)=O)cc2)=O.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 250mg/kg (250mg/kg)   Journal of Medicinal Chemistry. Vol. 16, Pg. 240, 1973.