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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-(acetylthio)-1-oxopropyl)-, dibromide
RN: 111854-43-4
InChIKey: BINGSJCEDOHBLF-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H38-N4-O4-S2.2Br

Molecular Weight

  • 646.5062
 
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Names and Synonyms

Synonym

  • N,N'''-Di-(beta-(acetylthio)propionyl)-N',N''-dispirotripiperazinium dibromide

Systematic Name

  • 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(3-(acetylthio)-1-oxopropyl)-, dibromide

Registry Numbers

CAS Registry Number

  • 111854-43-4

System Generated Number

  • 0111854434

Molecular Formulas

Molecular Formula

  • C22-H38-N4-O4-S2.2Br

Molecular Formula Fragments

  • Br
  • C22-H38-N4-O4-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C22H38N4O4S2.2BrH/c1-19(27)31-17-3-21(29)23-5-9-25(10-6-23)13-15-26(16-14-25)11-7-24(8-12-26)22(30)4-18-32-20(2)28;;/h3-18H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

BINGSJCEDOHBLF-UHFFFAOYSA-L

Smiles

CC(=O)SCCC(=O)N1CC[N+]2(CC1)CC[N+]3(CCN(CC3)C(=O)CCSC(=O)C)CC2.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 155mg/kg (155mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 207, 1987.