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Substance Name: p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)-, methyl ester
RN: 53206-85-2
InChIKey: XILVKGHOXYREOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N2-O4

Molecular Weight

  • 364.483
 
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Names and Synonyms

Synonyms

  • 5-23-02-00110 (Beilstein Handbook Reference)
  • BRN 0564746
  • Methyl 3-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)-p-cymene-2-carboxylate

Systematic Name

  • p-Cymene-2-carboxylic acid, 3-(2-hydroxy-3-(4-methyl-1-piperazinyl)propoxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 53206-85-2

System Generated Number

  • 0053206852

Structure Descriptors

InChI

1S/C20H32N2O4/c1-14(2)17-7-6-15(3)18(20(24)25-5)19(17)26-13-16(23)12-22-10-8-21(4)9-11-22/h6-7,14,16,23H,8-13H2,1-5H3

InChIKey

XILVKGHOXYREOY-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C(C)C)C)C(OC)=O)OC[C@@H](CN1CCN(C)CC1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 105mg/kg (105mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.