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Substance Name: Cyclohexaneacetic acid, 1-hydroxy-4-methyl-alpha-phenyl-, (2-(diethylamino)ethyl) ester, hydrochloride
RN: 110331-54-9
InChIKey: AIILZNJJOQYLBV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O3.Cl-H

Molecular Weight

  • 383.9566
 
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Names and Synonyms

Synonym

  • 1-Hydroxy-4-methyl-alpha-phenylcyclohexaneacetic acid (2-(diethylamino)ethyl) ester HCl

Systematic Name

  • Cyclohexaneacetic acid, 1-hydroxy-4-methyl-alpha-phenyl-, (2-(diethylamino)ethyl) ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 110331-54-9

System Generated Number

  • 0110331549

Molecular Formulas

Molecular Formula

  • C21-H33-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H33-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H33NO3.ClH/c1-4-22(5-2)15-16-25-20(23)19(18-9-7-6-8-10-18)21(24)13-11-17(3)12-14-21;/h6-10,17,19,24H,4-5,11-16H2,1-3H3;1H

InChIKey

AIILZNJJOQYLBV-UHFFFAOYSA-N

Smiles

CCN(CC)CCOC(=O)C(c1ccccc1)C2(CCC(CC2)C)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 220mg/kg (220mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 106, Pg. 141, 1952.
mouse LD50 intravenous 38mg/kg (38mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 117, Pg. 331, 1956.