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Substance Name: 1H-Indole-2-methanaminium, 5,5'-methylenebis(N,N,N-trimethyl-, bis(methyl sulfate)
RN: 90094-62-5
InChIKey: OKYUCIOZVXYWGA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N4.2C-H3-O4-S

Molecular Weight

  • 612.765
 
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Names and Synonyms

Synonyms

  • 2,2'-Di(trimethylammoniummethyl)-bis(5-indolyl)methane dimethylsulfate
  • 5,5'-Methylenebis(N,N,N-trimethyl-1H-indole-2-methanaminium) bis(methyl sulfate)

Systematic Name

  • 1H-Indole-2-methanaminium, 5,5'-methylenebis(N,N,N-trimethyl-, bis(methyl sulfate)

Registry Numbers

CAS Registry Number

  • 90094-62-5

System Generated Number

  • 0090094625

Molecular Formulas

Molecular Formula

  • C25-H34-N4.2C-H3-O4-S

Molecular Formula Fragments

  • C-H3-O4-S
  • C25-H34-N4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34N4.2CH4O4S/c1-28(2,3)16-22-14-20-12-18(7-9-24(20)26-22)11-19-8-10-25-21(13-19)15-23(27-25)17-29(4,5)6;2*1-5-6(2,3)4/h7-10,12-15,26-27H,11,16-17H2,1-6H3;2*1H3,(H,2,3,4)/q+2;;/p-2

InChIKey

OKYUCIOZVXYWGA-UHFFFAOYSA-L

Smiles

S(OC)(=O)(=O)[O-].S(OC)(=O)(=O)[O-].[N+](Cc1cc2cc(Cc3cc4c([nH]c(c4)C[N+](C)(C)C)cc3)ccc2[nH]1)(C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11400ug/kg (11.4mg/kg)   Pharmaceutical Chemistry Journal Vol. 18, Pg. 14, 1984.