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Substance Name: Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis((2-mercaptoethyl)dimethyl-, dibromide
RN: 60872-42-6
InChIKey: PSQNODLEDYBLTJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H34-N2-O2-S2.2Br

Molecular Weight

  • 606.485
 
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Names and Synonyms

Synonyms

  • 4,4'-Biphenylenebis(2-oxoethylenebis(thiodimethyl)ammonium) dibromide
  • Thio-seco-HC-3

Systematic Name

  • Ammonium, 4,4'-biphenylenebis(2-oxoethylene)bis((2-mercaptoethyl)dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 60872-42-6

System Generated Number

  • 0060872426

Molecular Formulas

Molecular Formula

  • C24-H34-N2-O2-S2.2Br

Molecular Formula Fragments

  • Br
  • C24-H34-N2-O2-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C24H32N2O2S2.2BrH/c1-25(2,13-15-29)23(27)17-19-5-9-21(10-6-19)22-11-7-20(8-12-22)18-24(28)26(3,4)14-16-30;;/h5-12H,13-18H2,1-4H3;2*1H

InChIKey

PSQNODLEDYBLTJ-UHFFFAOYSA-N

Smiles

c1(c2ccc(CC([N+](CCS)(C)C)=O)cc2)ccc(CC([N+](CCS)(C)C)=O)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 29mg/kg (29mg/kg) SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE

BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal Chemistry. Vol. 20, Pg. 59, 1977.