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Substance Name: Ammonium, (p-phenylenebis(1-methylethylene))bis(benzyldimethyl-, dichloride
RN: 10072-44-3
InChIKey: TZCKQUHRDZKTCH-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N2.2Cl

Molecular Weight

  • 501.582
 
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Names and Synonyms

Synonyms

  • (p-Phenylenebis(1-methylethylene))bis(benzyldimethylammonium) dichloride
  • p-Phenylenebis(1-methylethylene)bis(benzyldimethylammonium chloride)
  • Phenylene-p,p'-bis(2-dimethylbenzylammoniumpropyl) dichloride

Systematic Name

  • Ammonium, (p-phenylenebis(1-methylethylene))bis(benzyldimethyl-, dichloride

Registry Numbers

CAS Registry Number

  • 10072-44-3

System Generated Number

  • 0010072443

Molecular Formulas

Molecular Formula

  • C30-H42-N2.2Cl

Molecular Formula Fragments

  • C30-H42-N2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C30H42N2.2ClH/c1-25(21-31(3,4)23-27-13-9-7-10-14-27)29-17-19-30(20-18-29)26(2)22-32(5,6)24-28-15-11-8-12-16-28;;/h7-20,25-26H,21-24H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

TZCKQUHRDZKTCH-UHFFFAOYSA-L

Smiles

c1(ccc([C@@H](C[N+](Cc2ccccc2)(C)C)C)cc1)[C@@H](C[N+](Cc1ccccc1)(C)C)C.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 525ug/kg (0.525mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Dissertationes Pharmaceuticae. Vol. 13, Pg. 131, 1961.
mouse LD50 oral 96mg/kg (96mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION Dissertationes Pharmaceuticae. Vol. 13, Pg. 131, 1961.
mouse LD50 subcutaneous 625ug/kg (0.625mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archivum Immunologiae et Therapiae Experimentalis. Vol. 14, Pg. 104, 1966.