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Substance Name: Benzoic acid, o-benzoyl-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67031-57-6
InChIKey: GNNXZUUDKRWEKH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-N-O3.Cl-H

Molecular Weight

  • 401.931
 
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Names and Synonyms

Synonym

  • o-Benzoylbenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Systematic Name

  • Benzoic acid, o-benzoyl-, 3-(2-methylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-57-6

System Generated Number

  • 0067031576

Molecular Formulas

Molecular Formula

  • C23-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27NO3.ClH/c1-18-10-7-8-15-24(18)16-9-17-27-23(26)21-14-6-5-13-20(21)22(25)19-11-3-2-4-12-19;/h2-6,11-14,18H,7-10,15-17H2,1H3;1H

InChIKey

GNNXZUUDKRWEKH-UHFFFAOYSA-N

Smiles

c1(c(C(OCCC[N@@H+]2[C@@H](CCCC2)C)=O)cccc1)C(c1ccccc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 9mg/kg (9mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 155mg/kg (155mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.