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Substance Name: Acetic acid, (6-isopropyl-2-methoxycarbonyl-3-methylphenoxy)-, 2-piperidinoethyl ester
RN: 52073-11-7
InChIKey: ZOXROYAHTWXWDS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H31-N-O5

Molecular Weight

  • 377.478
 
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Names and Synonyms

Synonyms

  • BRN 1268591
  • p-Cymene-2-carboxylic acid, 3-(2-(piperidino)ethoxycarbonylmethoxy)-, methyl ester

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 52073-11-7

System Generated Number

  • 0052073117

Structure Descriptors

InChI

1S/C21H31NO5/c1-15(2)17-9-8-16(3)19(21(24)25-4)20(17)27-14-18(23)26-13-12-22-10-6-5-7-11-22/h8-9,15H,5-7,10-14H2,1-4H3

InChIKey

ZOXROYAHTWXWDS-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.