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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-((aminoiminomethyl)thio)-1-oxopropyl)-, dichloride, dihydrobromide
RN: 111854-45-6
InChIKey: QXDRUJMEAFXHJQ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-N8-O2-S2.2Cl.2Br-H

Molecular Weight

  • 719.436
 
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Names and Synonyms

Synonym

  • N,N'''-Di-(beta-(isothiouronium)propionyl)-N,N''-dispirotripiperazinium dichloride 2HBr

Systematic Name

  • 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-((aminoiminomethyl)thio)-1-oxopropyl)-, dichloride, dihydrobromide

Registry Numbers

CAS Registry Number

  • 111854-45-6

System Generated Number

  • 0111854456

Molecular Formulas

Molecular Formula

  • C20-H38-N8-O2-S2.2Cl.2Br-H

Molecular Formula Fragments

  • Br-H
  • C20-H38-N8-O2-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H38N8O2S2.2BrH.2ClH/c21-19(22)31-15-1-17(29)25-3-7-27(8-4-25)11-13-28(14-12-27)9-5-26(6-10-28)18(30)2-16-32-20(23)24;;;;/h1-16H2,(H3,21,22)(H3,23,24);4*1H/q+2;;;;/p-2

InChIKey

QXDRUJMEAFXHJQ-UHFFFAOYSA-L

Smiles

C1C[N+]2(CCN1C(=O)CCSC(=N)N)CC[N+]3(CCN(CC3)C(=O)CCSC(=N)N)CC2.[Cl-].[Cl-].Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 16300ug/kg (16.3mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 207, 1987.