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Substance Name: 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-, ethyl ester, mono(4-methylbenzenesulfonate)
RN: 125602-70-2
InChIKey: NVYOWNFDNUTCOB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-Cl-N2-O3.C7-H8-O3-S

Molecular Weight

  • 589.1493
 
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Names and Synonyms

Synonym

  • Ethyl 4-(4-((4-chlorophenyl)-2-pyridylmethoxy)-1-piperidyl)butanoate p-toluenesulfonate

Systematic Name

  • 1-Piperidinebutanoic acid, 4-((4-chlorophenyl)-2-pyridinylmethoxy)-, ethyl ester, mono(4-methylbenzenesulfonate)

Registry Numbers

CAS Registry Number

  • 125602-70-2

System Generated Number

  • 0125602702

Molecular Formulas

Molecular Formula

  • C23-H29-Cl-N2-O3.C7-H8-O3-S

Molecular Formula Fragments

  • C23-H29-Cl-N2-O3
  • C7-H8-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29ClN2O3.C7H8O3S/c1-2-28-22(27)7-5-15-26-16-12-20(13-17-26)29-23(21-6-3-4-14-25-21)18-8-10-19(24)11-9-18;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6,8-11,14,20,23H,2,5,7,12-13,15-17H2,1H3;2-5H,1H3,(H,8,9,10)

InChIKey

NVYOWNFDNUTCOB-UHFFFAOYSA-N

Smiles

CCOC(=O)CCCN1CCC(CC1)OC(c2ccc(cc2)Cl)c3ccccn3.Cc1ccc(cc1)S(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2200mg/kg (2200mg/kg)   United States Patent Document. Vol. #4929618,