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Substance Name: Benzoic acid, p-butoxy-, 1-methyl-2-(2-methylpiperidino)ethyl ester, hydrochloride
RN: 67032-42-2
InChIKey: SQGCSAQJJHIFIN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O3.Cl-H

Molecular Weight

  • 369.93
 
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Names and Synonyms

Synonym

  • p-Butoxybenzoic acid 1-methyl-2-(2-methylpiperidino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-butoxy-, 1-methyl-2-(2-methylpiperidino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67032-42-2

System Generated Number

  • 0067032422

Molecular Formulas

Molecular Formula

  • C20-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO3.ClH/c1-4-5-14-23-19-11-9-18(10-12-19)20(22)24-17(3)15-21-13-7-6-8-16(21)2;/h9-12,16-17H,4-8,13-15H2,1-3H3;1H

InChIKey

SQGCSAQJJHIFIN-UHFFFAOYSA-N

Smiles

c1(ccc(OCCCC)cc1)C(O[C@@H](C[N@@H+]1[C@@H](CCCC1)C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 141mg/kg (141mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 800mg/kg (800mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.