Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate
RN: 72017-47-1
InChIKey: GSBPBVBSTZZEIA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H70-N2.2Br.H2-O

Molecular Weight

  • 690.771
 
* 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

  • Ammonium, hexamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, hydrate

Registry Numbers

CAS Registry Number

  • 72017-47-1

System Generated Number

  • 0072017471

Molecular Formulas

Molecular Formula

  • C36-H70-N2.2Br.H2-O

Molecular Formula Fragments

  • Br
  • C36-H70-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C36H70N2.2BrH/c1-29(27-33-30(2)19-17-22-35(33,5)6)28-38(11,12)25-16-14-13-15-24-37(9,10)26-21-32(4)34-31(3)20-18-23-36(34,7)8;;/h29,32H,13-28H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

GSBPBVBSTZZEIA-UHFFFAOYSA-L

Smiles

C=1(C(CCCC1C)(C)C)C[C@@H](C[N+](CCCCCC[N+](CC[C@@H](C=1C(CCCC1C)(C)C)C)(C)C)(C)C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 175mg/kg (175mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.