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Substance Name: 3,12-Diaza-6,9-diazoniadispiro(5.2.5.2)hexadecane, 3,12-bis(2,3-dihydroxypropyl)-, dichloride
RN: 60013-05-0
InChIKey: GXRXAGCWPHRNBJ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H38-N4-O4.2Cl

Molecular Weight

  • 445.4282
 
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Names and Synonyms

Synonym

  • N,N'''-Di-(beta,gamma-dihydroxypropyl)-N,N''-dispirotripiperazinium dichloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 60013-05-0

System Generated Number

  • 0060013050

Molecular Formulas

Molecular Formula

  • C18-H38-N4-O4.2Cl

Molecular Formula Fragments

  • C18-H38-N4-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H38N4O4.2ClH/c23-15-17(25)13-19-1-5-21(6-2-19)9-11-22(12-10-21)7-3-20(4-8-22)14-18(26)16-24;;/h17-18,23-26H,1-16H2;2*1H/q+2;;/p-2

InChIKey

GXRXAGCWPHRNBJ-UHFFFAOYSA-L

Smiles

C1C[N+]2(CCN1CC(CO)O)CC[N+]3(CCN(CC3)CC(CO)O)CC2.[Cl-].[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD95 intraperitoneal 400mg/kg (400mg/kg)   Pharmaceutical Chemistry Journal Vol. 10, Pg. 171, 1976.