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Substance Name: Benzoic acid, o-mercapto-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
RN: 66591-55-7
InChIKey: RAOMCFZAXRPCNG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O2-S.Cl-H

Molecular Weight

  • 343.916
 
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Names and Synonyms

Synonym

  • o-Mercaptobenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

Systematic Name

  • Benzoic acid, o-mercapto-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 66591-55-7

System Generated Number

  • 0066591557

Molecular Formulas

Molecular Formula

  • C17-H25-N-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO2S.ClH/c1-13-7-5-8-14(2)18(13)11-6-12-20-17(19)15-9-3-4-10-16(15)21;/h3-4,9-10,13-14,21H,5-8,11-12H2,1-2H3;1H

InChIKey

RAOMCFZAXRPCNG-UHFFFAOYSA-N

Smiles

c1(C(OCCC[NH+]2[C@@H](CCC[C@@H]2C)C)=O)c(cccc1)S.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 45mg/kg (45mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.