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Substance Name: Benzoic acid, p-iodo-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67032-09-1
InChIKey: HSRACYDREPWNNV-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

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67032-09-1

System Generated Number

  • 0067032091

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/c1-13-5-2-3-10-18(13)11-4-12-20-16(19)14-6-8-15(17)9-7-14;/h6-9,13H,2-5,10-12H2,1H3;1H

InChIKey

HSRACYDREPWNNV-UHFFFAOYSA-N

Smiles

c1(C(OCCC[N@@H+]2[C@@H](CCCC2)C)=O)ccc(I)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 48mg/kg (48mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.