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Substance Name: 1H-Azepinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(hexahydro-, diiodide
ID: CM34420000
InChIKey: IDLTYPRAMFJJHE-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H46-N2-O4.2I

Molecular Weight

  • 704.4594
 
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Names and Synonyms

Synonym

  • 1,1'-(m-Phenylenebis(oxy(2-hydroxytrimethylene)))bis(hexahydro-1H-azepinium iodide)

Systematic Name

  • 1H-Azepinium, 1,1'-(m-phenylenebis(oxy(2-hydroxytrimethylene)))bis(hexahydro-, diiodide

Registry Numbers

ID Number

  • NIOSH/CM3442000

System Generated Number

  • CM34420000

Molecular Formulas

Molecular Formula

  • C26-H46-N2-O4.2I

Molecular Formula Fragments

  • C26-H46-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H46N2O4.2HI/c1-27(14-7-3-4-8-15-27)19-23(29)21-31-25-12-11-13-26(18-25)32-22-24(30)20-28(2)16-9-5-6-10-17-28;;/h11-13,18,23-24,29-30H,3-10,14-17,19-22H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

IDLTYPRAMFJJHE-UHFFFAOYSA-L

Smiles

[I-].[I-].C[N+]1(CC(O)COc2cccc(OCC(O)C[N+]3(C)CCCCCC3)c2)CCCCCC1