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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2-(sulfothio)ethyl)-, dihydroxide, bis(inner salt)
RN: 111854-42-3
InChIKey: OMASQOFREJDMSA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H32-N4-O6-S4

Molecular Weight

  • 504.7148
 
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Names and Synonyms

Synonyms

  • BRN 5679168
  • N,N'''-Di-(beta-(thiosulfate)ethyl)-N',N''-dispiropiperazinium

Systematic Name

  • 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2-(sulfothio)ethyl)-, dihydroxide, bis(inner salt)

Registry Numbers

CAS Registry Number

  • 111854-42-3

System Generated Number

  • 0111854423

Structure Descriptors

InChI

1S/C16H32N4O6S4/c21-29(22,23)27-15-5-17-1-7-19(8-2-17)11-13-20(14-12-19)9-3-18(4-10-20)6-16-28-30(24,25)26/h1-16H2

InChIKey

OMASQOFREJDMSA-UHFFFAOYSA-N

Smiles

C1C[N+]2(CCN1CCSS(=O)(=O)[O-])CC[N+]3(CCN(CC3)CCSS(=O)(=O)[O-])CC2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 207, 1987.