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Substance Name: Benzoic acid, p-amino-, 2-((1-isobutyl-3-methylbutyl)amino)ethyl ester, hydrochloride
RN: 69781-32-4
InChIKey: PTOYXJNQESEOPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H30-N2-O2.Cl-H

Molecular Weight

  • 342.908
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-((1-isobutyl-3-methylbutyl)amino)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-amino-, 2-((1-isobutyl-3-methylbutyl)amino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 69781-32-4

System Generated Number

  • 0069781324

Molecular Formulas

Molecular Formula

  • C18-H30-N2-O2.Cl-H

Molecular Formula Fragments

  • C18-H30-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H30N2O2.ClH/c1-13(2)11-17(12-14(3)4)20-9-10-22-18(21)15-5-7-16(19)8-6-15;/h5-8,13-14,17,20H,9-12,19H2,1-4H3;1H

InChIKey

PTOYXJNQESEOPE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Journal of the American Chemical Society. Vol. 66, Pg. 1448, 1944.