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Substance Name: Benzoic acid, o-iodo-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67032-08-0
InChIKey: WUJRYZYTQDVBBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-I-N-O2.Cl-H

Molecular Weight

  • 423.716
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67032-08-0

System Generated Number

  • 0067032080

Molecular Formulas

Molecular Formula

  • C16-H22-I-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H22-I-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H22INO2.ClH/c1-13-7-4-5-10-18(13)11-6-12-20-16(19)14-8-2-3-9-15(14)17;/h2-3,8-9,13H,4-7,10-12H2,1H3;1H

InChIKey

WUJRYZYTQDVBBX-UHFFFAOYSA-N

Smiles

c1(c(cccc1)I)C(OCCC[N@@H+]1[C@@H](CCCC1)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 23mg/kg (23mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.