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Substance Name: Ammonium, heptamethylenebis(1-methyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)propyl)bis(dimethyl-, dibromide, dihydrate
RN: 66967-68-8
InChIKey: XYJMTCZYDYVHFM-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C37-H72-N2.2Br.2H2-O

Molecular Weight

  • 704.798
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 66967-68-8

System Generated Number

  • 0066967688

Molecular Formulas

Molecular Formula

  • C37-H72-N2.2Br.2H2-O

Molecular Formula Fragments

  • Br
  • C37-H72-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C37H72N2.2BrH/c1-30-20-18-26-36(5,6)34(30)24-22-32(3)38(9,10)28-16-14-13-15-17-29-39(11,12)33(4)23-25-35-31(2)21-19-27-37(35,7)8;;/h32-33H,13-29H2,1-12H3;2*1H/q+2;;/p-2

InChIKey

XYJMTCZYDYVHFM-UHFFFAOYSA-L

Smiles

C=1(C(CCCC1C)(C)C)CC[C@@H]([N+](CCCCCCC[N+]([C@@H](CCC=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 203mg/kg (203mg/kg)   Journal of Medicinal Chemistry. Vol. 6, Pg. 780, 1963.