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Substance Name: Ethanone, 1,1'-(2,8-dibenzothiophenediyl)bis(2-(dimethylamino)-, dihydrochloride, trihydrate
RN: 35556-06-0
InChIKey: AHJVGWQHSLZPDW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C20-H22-N2-O2-S.2Cl-H
  • C20-H22-N2-O2-S.2Cl-H.3H2-O

Molecular Weight

  • 427.394
 
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Names and Synonyms

Synonyms

  • 1,1'-(2,8-Dibenzothiophenediyl)bis(2-(dimethylamino)ethanone) dihydrochloride trihydrate
  • EINECS 252-616-6
  • RMI 11877 DA

Systematic Names

  • Dibenzothiophene-2,8-diylbis((N-carbonylmethylene)dimethylamine) dihydrochloride trihydrate
  • Ethanone, 1,1'-(2,8-dibenzothiophenediyl)bis(2-(dimethylamino)-, dihydrochloride, trihydrate

Registry Numbers

CAS Registry Number

  • 35556-06-0

System Generated Number

  • 0035556060

Molecular Formulas

Molecular Formulas

  • C20-H22-N2-O2-S.2Cl-H
  • C20-H22-N2-O2-S.2Cl-H.3H2-O

Molecular Formula Fragments

  • C20-H22-N2-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H22N2O2S.2ClH/c1-21(2)11-17(23)13-5-7-19-15(9-13)16-10-14(6-8-20(16)25-19)18(24)12-22(3)4;;/h5-10H,11-12H2,1-4H3;2*1H

InChIKey

AHJVGWQHSLZPDW-UHFFFAOYSA-N

Smiles

c12c3c(ccc(c3)C(C[NH+](C)C)=O)sc1ccc(c2)C(C[NH+](C)C)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2930mg/kg (2930mg/kg)   Aldrichimica Acta. Vol. 12, Pg. 77, 1979.
mouse LD50 subcutaneous 820mg/kg (820mg/kg)   Aldrichimica Acta. Vol. 12, Pg. 77, 1979.