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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-(sulfothio)propyl)-, dihydroxide, bis(inner salt)
RN: 111854-41-2
InChIKey: DRLUQHPSZIMNNZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H32-N4-O8-S4

Molecular Weight

  • 560.7348
 
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Names and Synonyms

Synonyms

  • BRN 5693699
  • N,N'''-Di-(beta-(thiosulfate)propionyl)-N',N''-dispiropiperazinium

Systematic Name

  • 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(1-oxo-3-(sulfothio)propyl)-, dihydroxide, bis(inner salt)

Registry Numbers

CAS Registry Number

  • 111854-41-2

System Generated Number

  • 0111854412

Structure Descriptors

InChI

1S/C18H32N4O8S4/c23-17(1-15-31-33(25,26)27)19-3-7-21(8-4-19)11-13-22(14-12-21)9-5-20(6-10-22)18(24)2-16-32-34(28,29)30/h1-16H2

InChIKey

DRLUQHPSZIMNNZ-UHFFFAOYSA-N

Smiles

C1C[N+]2(CCN1C(=O)CCSS(=O)(=O)[O-])CC[N+]3(CCN(CC3)C(=O)CCSS(=O)(=O)[O-])CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 207, 1987.