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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(dimethoxyphosphinothioyl)-, dichloride
RN: 111854-46-7
InChIKey: HVYFSXKPBIUMPA-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H36-N4-O4-P2-S2.2Cl

Molecular Weight

  • 545.4704
 
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Names and Synonyms

Synonym

  • N,N'''-Di-((O,O-dimethylthiophosphate))-N,N''-dispirotripiperazinium dichloride

Systematic Name

  • 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(dimethoxyphosphinothioyl)-, dichloride

Registry Numbers

CAS Registry Number

  • 111854-46-7

System Generated Number

  • 0111854467

Molecular Formulas

Molecular Formula

  • C16-H36-N4-O4-P2-S2.2Cl

Molecular Formula Fragments

  • C16-H36-N4-O4-P2-S2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C16H36N4O4P2S2.2ClH/c1-21-25(27,22-2)17-5-9-19(10-6-17)13-15-20(16-14-19)11-7-18(8-12-20)26(28,23-3)24-4;;/h5-16H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

HVYFSXKPBIUMPA-UHFFFAOYSA-L

Smiles

COP(=S)(N1CC[N+]2(CC1)CC[N+]3(CCN(CC3)P(=S)(OC)OC)CC2)OC.[Cl-].[Cl-]

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.