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Substance Name: Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-piperidinoethyl ester
RN: 53206-78-3
InChIKey: MKXWZVYEVYAFOZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H35-N-O5

Molecular Weight

  • 405.531
 
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Names and Synonyms

Synonyms

  • BRN 1269020
  • p-Cymene-2-carboxylic acid, 3-(2-(piperidino)ethoxycarbonylmethoxy)-, isopropyl ester

Systematic Name

  • Acetic acid, (2-isopropoxycarbonyl-6-isopropyl-3-methylphenoxy)-, 2-piperidinoethyl ester

Registry Numbers

CAS Registry Number

  • 53206-78-3

System Generated Number

  • 0053206783

Structure Descriptors

InChI

1S/C23H35NO5/c1-16(2)19-10-9-18(5)21(23(26)29-17(3)4)22(19)28-15-20(25)27-14-13-24-11-7-6-8-12-24/h9-10,16-17H,6-8,11-15H2,1-5H3

InChIKey

MKXWZVYEVYAFOZ-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C(C)C)C)C(OC(C)C)=O)OCC(OCCN1CCCCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 55mg/kg (55mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.