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Substance Name: 1H-Azepinium, 1,1'-(2,5-bis(4-methoxybenzoyl)-1,6-hexanediyl)bis(hexahydro-1-methyl-, diiodide
RN: 88233-58-3
InChIKey: YYRXTBZUMASBSH-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H54-N2-O4.2I

Molecular Weight

  • 832.6326
 
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Names and Synonyms

Synonym

  • 1,1'-(2,5-Bis(4-methoxybenzoyl)-1,6-hexanediyl)bis(hexahydro-1-methyl-1H-azepinium iodide)

Systematic Name

  • 1H-Azepinium, 1,1'-(2,5-bis(4-methoxybenzoyl)-1,6-hexanediyl)bis(hexahydro-1-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 88233-58-3

System Generated Number

  • 0088233583

Molecular Formulas

Molecular Formula

  • C36-H54-N2-O4.2I

Molecular Formula Fragments

  • C36-H54-N2-O4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C36H54N2O4.2HI/c1-37(23-9-5-6-10-24-37)27-31(35(39)29-15-19-33(41-3)20-16-29)13-14-32(28-38(2)25-11-7-8-12-26-38)36(40)30-17-21-34(42-4)22-18-30;;/h15-22,31-32H,5-14,23-28H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

YYRXTBZUMASBSH-UHFFFAOYSA-L

Smiles

[N+]1(CCCCCC1)(CC(C(=O)c1ccc(cc1)OC)CCC(C[N+]1(CCCCCC1)C)C(=O)c1ccc(cc1)OC)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 13mg/kg (13mg/kg)   Pharmaceutical Chemistry Journal Vol. 17, Pg. 731, 1983.