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Substance Name: Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, p-tolyl ester
RN: 21217-25-4
InChIKey: SJRCRJHWTFRAMR-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H47-N4-O2-P.2Br

Molecular Weight

  • 698.52
 
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Names and Synonyms

Synonyms

  • (Phosphinicobis(iminotrimethylene))bis(benzyldimethylammonium bromide) p-tolyl ester
  • H.C. 9009

Systematic Name

  • Ammonium, (phosphinicobis(iminotrimethylene))bis(benzyldimethyl-, dibromide, p-tolyl ester

Registry Numbers

CAS Registry Number

  • 21217-25-4

System Generated Number

  • 0021217254

Molecular Formulas

Molecular Formula

  • C31-H47-N4-O2-P.2Br

Molecular Formula Fragments

  • Br
  • C31-H47-N4-O2-P
  • COMPONENT

Structure Descriptors

InChI

1S/C31H47N4O2P.2BrH/c1-28-18-20-31(21-19-28)37-38(36,32-22-12-24-34(2,3)26-29-14-8-6-9-15-29)33-23-13-25-35(4,5)27-30-16-10-7-11-17-30;;/h6-11,14-21H,12-13,22-27H2,1-5H3,(H2,32,33,36);2*1H/q+2;;/p-2

InChIKey

SJRCRJHWTFRAMR-UHFFFAOYSA-L

Smiles

O(P(NCCC[N+](Cc1ccccc1)(C)C)(NCCC[N+](Cc1ccccc1)(C)C)=O)c1ccc(C)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4500ug/kg (4.5mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 178, Pg. 269, 1969.