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Substance Name: Ammonium, diethyl(3-hydroxy-1,3,3-triphenylpropyl)methyl-, chloride, hemihydrate
RN: 73664-08-1
InChIKey: APZUMHOIMMHAFN-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H32-N-O.Cl.1/2H2-O

Molecular Weight

  • 409.998
 
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Names and Synonyms

Synonyms

  • Diethyl(3-hydroxy-1,3,3-triphenylpropyl)methylammonium chloride hemihydrate
  • Methyl diethyl-(1,3,3-triphenyl-3-hydroxypropyl) ammonium chloride hemihydrate
  • Methyldiethyl(3-hydroxy-1,3,3-triphenylpropyl)ammonium chloride hemihydrate

Systematic Name

  • Ammonium, diethyl(3-hydroxy-1,3,3-triphenylpropyl)methyl-, chloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 73664-08-1

System Generated Number

  • 0073664081

Molecular Formulas

Molecular Formula

  • C26-H32-N-O.Cl.1/2H2-O

Molecular Formula Fragments

  • C26-H32-N-O
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H32NO.ClH/c1-4-27(3,5-2)25(22-15-9-6-10-16-22)21-26(28,23-17-11-7-12-18-23)24-19-13-8-14-20-24;/h6-20,25,28H,4-5,21H2,1-3H3;1H/q+1;/p-1

InChIKey

APZUMHOIMMHAFN-UHFFFAOYSA-M

Smiles

C(C[C@@H](c1ccccc1)[N+](CC)(CC)C)(c1ccccc1)(c1ccccc1)O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12464,