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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2-(acetylthio)ethyl)-, dichloride
RN: 111854-44-5
InChIKey: KIJMPHXNWATWDZ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H38-N4-O2-S2.2Cl

Molecular Weight

  • 501.5842
 
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Names and Synonyms

Synonyms

  • 3,12-Bis(2-(acetylthio)ethyl)-3,12-diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane dichloride
  • N,N'''-Di-(beta-(acetylthio)ethyl)-N',N''-dispirotripiperazinium dichloride

Systematic Name

  • 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2-(acetylthio)ethyl)-, dichloride

Registry Numbers

CAS Registry Number

  • 111854-44-5

System Generated Number

  • 0111854445

Molecular Formulas

Molecular Formula

  • C20-H38-N4-O2-S2.2Cl

Molecular Formula Fragments

  • C20-H38-N4-O2-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C20H38N4O2S2.2ClH/c1-19(25)27-17-7-21-3-9-23(10-4-21)13-15-24(16-14-23)11-5-22(6-12-24)8-18-28-20(2)26;;/h3-18H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

KIJMPHXNWATWDZ-UHFFFAOYSA-L

Smiles

CC(=O)SCCN1CC[N+]2(CC1)CC[N+]3(CCN(CC3)CCSC(=O)C)CC2.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 207, 1987.