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Substance Name: 1,3-Dioxane-2-methanaminium, N,N'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(N,N-dimethyl-, dibromide
RN: 123489-69-0
InChIKey: POHVXWMJYSDFEE-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N2-O6.2Br

Molecular Weight

  • 686.4778
 
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Names and Synonyms

Synonyms

  • 4,4'-Bis(((1,3-dioxan-2-ylmethyl)methylamino)acetyl)biphenyl dimethiobromide
  • RTECS JW9170000

Systematic Name

  • 1,3-Dioxane-2-methanaminium, N,N'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(N,N-dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 123489-69-0

System Generated Number

  • 0123489690

Molecular Formulas

Molecular Formula

  • C30-H42-N2-O6.2Br

Molecular Formula Fragments

  • Br
  • C30-H42-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C30H42N2O6.2BrH/c1-31(2,21-29-35-15-5-16-36-29)19-27(33)25-11-7-23(8-12-25)24-9-13-26(14-10-24)28(34)20-32(3,4)22-30-37-17-6-18-38-30;;/h7-14,29-30H,5-6,15-22H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

POHVXWMJYSDFEE-UHFFFAOYSA-L

Smiles

C[N+](C)(CC1OCCCO1)CC(=O)c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CC4OCCCO4.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 5012ug/kg (5.012mg/kg)   Journal of Medicinal Chemistry. Vol. 33, Pg. 577, 1990.