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Substance Name: Benzoic acid, p-amino-, (2-((1-isobutyl-3-methyl)butylamino)-1-methyl)ethyl ester, hydrochloride
RN: 72017-56-2
InChIKey: IEOUPWISOJNIPJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H32-N2-O2.Cl-H

Molecular Weight

  • 356.935
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 72017-56-2

System Generated Number

  • 0072017562

Molecular Formulas

Molecular Formula

  • C19-H32-N2-O2.Cl-H

Molecular Formula Fragments

  • C19-H32-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H32N2O2.ClH/c1-13(2)10-18(11-14(3)4)21-12-15(5)23-19(22)16-6-8-17(20)9-7-16;/h6-9,13-15,18,21H,10-12,20H2,1-5H3;1H

InChIKey

IEOUPWISOJNIPJ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.
mouse LD50 subcutaneous 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.