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Substance Name: Benzoic acid, 4-(2-(diethylamino)ethoxy)-3,5-dipropyl-, hydrochloride
RN: 100311-36-2
InChIKey: ALOYRRXNZFTOSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H31-N-O3.Cl-H

Molecular Weight

  • 357.919
 
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Names and Synonyms

Synonym

  • 4-(2-(Diethylamino)ethoxy)-3,5-dipropylbenzoic acid hydrochloride

Systematic Name

  • Benzoic acid, 4-(2-(diethylamino)ethoxy)-3,5-dipropyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 100311-36-2

System Generated Number

  • 0100311362

Molecular Formulas

Molecular Formula

  • C19-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C19-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H31NO3.ClH/c1-5-9-15-13-17(19(21)22)14-16(10-6-2)18(15)23-12-11-20(7-3)8-4;/h13-14H,5-12H2,1-4H3,(H,21,22);1H

InChIKey

ALOYRRXNZFTOSZ-UHFFFAOYSA-N

Smiles

c1(c(cc(C(O)=O)cc1CCC)CCC)OCC[NH+](CC)CC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 179, 1960.