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Substance Name: Benzoic acid, 3,5-dipropyl-4-(2-(diethylamino)ethoxy)-, ethyl ester, hydrochloride
RN: 100482-24-4
InChIKey: OLILKWIYXTXINZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H35-N-O3.Cl-H

Molecular Weight

  • 385.972
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100482-24-4

System Generated Number

  • 0100482244

Molecular Formulas

Molecular Formula

  • C22-H35-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H35-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H35NO3.ClH/c1-6-11-17-15-19(21(23)24-10-5)16-18(12-7-2)20(17)25-14-13-22(8-3)9-4;/h15-16H,6-14H2,1-5H3;1H

InChIKey

OLILKWIYXTXINZ-UHFFFAOYSA-N

Smiles

c1(c(cc(C(OCC)=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.