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Substance Name: 1-Benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine
RN: 113045-24-2
InChIKey: PGGCKJQZYSSGNI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H34-N2-O3-S.Cl-H

Molecular Weight

  • 527.125
 
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Names and Synonyms

Name of Substance

  • 1-Benzyl-4-(2-(N-(4'-(benzylsulfonyl)benzoyl)-N-methylamino)ethyl)piperidine

Synonym

  • N-Methyl-N-(4'-(1'-benzylpiperidine)ethyl)-4-benzylsulfonylbenzamide hydrochloride

Systematic Name

  • Benzamide, N-methyl-N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-4-((phenylmethyl)sulfonyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 113045-24-2

System Generated Number

  • 0113045242

Molecular Formulas

Molecular Formula

  • C29-H34-N2-O3-S.Cl-H

Molecular Formula Fragments

  • C29-H34-N2-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H34N2O3S.ClH/c1-30(19-16-24-17-20-31(21-18-24)22-25-8-4-2-5-9-25)29(32)27-12-14-28(15-13-27)35(33,34)23-26-10-6-3-7-11-26;/h2-15,24H,16-23H2,1H3;1H

InChIKey

PGGCKJQZYSSGNI-UHFFFAOYSA-N

Smiles

C(c1ccc(cc1)S(=O)(=O)Cc1ccccc1)(=O)N(CCC1CCN(CC1)Cc1ccccc1)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5118684,