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Substance Name: p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethylcarbamoylmethoxy)-, methyl ester
RN: 53206-91-0
InChIKey: DTRYRQSAXWHXNC-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-Allyl-2-hydroxy-3-isopropyl-6-methylbenzoic acid
  • 6-Allyl-3-hydroxy-p-cymene-2-carboxylic acid
  • Benzoic acid, 2-(2-(diethylamino)ethylcarbamoylmethoxy)-3-isopropyl-6-methyl-, methyl ester
  • BRN 2774744

Systematic Name

  • p-Cymene-2-carboxylic acid, 3-(2-(diethylamino)ethylcarbamoylmethoxy)-, methyl ester

Registry Numbers

CAS Registry Number

  • 53206-91-0

System Generated Number

  • 0053206910

Structure Descriptors

InChI

1S/C20H32N2O4/c1-7-22(8-2)12-11-21-17(23)13-26-19-16(14(3)4)10-9-15(5)18(19)20(24)25-6/h9-10,14H,7-8,11-13H2,1-6H3,(H,21,23)

InChIKey

DTRYRQSAXWHXNC-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1C(C)C)C)C(OC)=O)OCC(NCCN(CC)CC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 213, 1960.
mouse LD50 intravenous 42mg/kg (42mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 9, Pg. 156, 1974.