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Substance Name: Ammonium, benzylbis(2-hydroxyethyl)undecyl-, chloride
RN: 102571-39-1
InChIKey: ZUFVHPNINAHAMF-UHFFFAOYSA-M

Classification Codes

  • Drug / Therapeutic Agent
  • Germicide, Bactericide, Disinfectant

Molecular Formula

  • C21-H40-N-O2.Cl

Molecular Weight

  • 386.016
 
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Names and Synonyms

Synonym

  • Di(2-hydroxyethyl)benzylundecylammonium chloride

Systematic Name

  • Ammonium, benzylbis(2-hydroxyethyl)undecyl-, chloride

Registry Numbers

CAS Registry Number

  • 102571-39-1

System Generated Number

  • 0102571391

Molecular Formulas

Molecular Formula

  • C21-H40-N-O2.Cl

Molecular Formula Fragments

  • C21-H40-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C22H40NO2.ClH/c1-2-3-4-5-6-7-8-9-13-16-23(17-19-24,18-20-25)21-22-14-11-10-12-15-22;/h10-12,14-15,24-25H,2-9,13,16-21H2,1H3;1H/q+1;/p-1

InChIKey

ZUFVHPNINAHAMF-UHFFFAOYSA-M

Smiles

[N+](Cc1ccccc1)(CCCCCCCCCCC)(CCO)CCO.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1584mg/kg (1584mg/kg) SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY OBSTRUCTION
Pharmaceutical Chemistry Journal Vol. 10, Pg. 55, 1976.