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Substance Name: Benzoic acid, p-amino-, 2-((3,3,5-trimethylcyclohexyl)amino)ethyl ester, hydrochloride
RN: 69780-94-5
InChIKey: OCVWALPFKNMJON-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H28-N2-O2.Cl-H

Molecular Weight

  • 340.892
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-((3,3,5-trimethylcyclohexyl)amino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-amino-, 2-((3,3,5-trimethylcyclohexyl)amino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 69780-94-5

System Generated Number

  • 0069780945

Molecular Formulas

Molecular Formula

  • C18-H28-N2-O2.Cl-H

Molecular Formula Fragments

  • C18-H28-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H28N2O2.ClH/c1-13-10-16(12-18(2,3)11-13)20-8-9-22-17(21)14-4-6-15(19)7-5-14;/h4-7,13,16,20H,8-12,19H2,1-3H3;1H

InChIKey

OCVWALPFKNMJON-UHFFFAOYSA-N

Smiles

c1(C(OCC[NH2+][C@@H]2CC(C[C@@H](C2)C)(C)C)=O)ccc(N)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 225mg/kg (225mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.