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Substance Name: Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride
RN: 22684-77-1
InChIKey: BGLQEQJSABKOQX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N-O4.Cl-H

Molecular Weight

  • 359.891
 
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Names and Synonyms

Synonym

  • 2-Butoxy-3-methoxybenzoic acid hydrochloride, 2-(diethylamino)ethyl ester

Systematic Name

  • Benzoic acid, 2-butoxy-3-methoxy-, 2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 22684-77-1

System Generated Number

  • 0022684771

Molecular Formulas

Molecular Formula

  • C18-H29-N-O4.Cl-H

Molecular Formula Fragments

  • C18-H29-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29NO4.ClH/c1-5-8-13-22-17-15(10-9-11-16(17)21-4)18(20)23-14-12-19(6-2)7-3;/h9-11H,5-8,12-14H2,1-4H3;1H

InChIKey

BGLQEQJSABKOQX-UHFFFAOYSA-N

Smiles

c1(c(C(OCC[NH+](CC)CC)=O)cccc1OC)OCCCC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7mg/kg (7mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 870, 1969.