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Substance Name: Benzoic acid, p-(hexyloxy)-, 2-diethylaminoethyl ester, hydrochloride
RN: 13971-87-4
InChIKey: AGSPNRLFZALZRV-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

  • p-(Hexyloxy)benzoic acid 2-diethylaminoethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-(hexyloxy)-, 2-diethylaminoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 13971-87-4

System Generated Number

  • 0013971874

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/c1-4-7-8-9-15-22-18-12-10-17(11-13-18)19(21)23-16-14-20(5-2)6-3;/h10-13H,4-9,14-16H2,1-3H3;1H

InChIKey

AGSPNRLFZALZRV-UHFFFAOYSA-N

Smiles

c1(ccc(OCCCCCC)cc1)C(OCC[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 258mg/kg (258mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 6, Pg. 119, 1954.