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Substance Name: Benzoic acid, p-amino-, 2-((1-isobutyl-3-methylbutyl)amino)propyl ester, glycolate
RN: 69815-33-4
InChIKey: JHCJSHKRCXOAIA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H32-N2-O2.C2-H4-O3

Molecular Weight

  • 396.524
 
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Names and Synonyms

Synonyms

  • 1-(4-(2,6-Dimethylheptyl)amino)-2-propanol p-aminobenzoate glycolate
  • p-Aminobenzoic acid 2-((1-isobutyl-3-methylbutyl)amino)propyl ester glycolate

Systematic Name

  • Benzoic acid, p-amino-, 2-((1-isobutyl-3-methylbutyl)amino)propyl ester, glycolate

Registry Numbers

CAS Registry Number

  • 69815-33-4

System Generated Number

  • 0069815334

Molecular Formulas

Molecular Formula

  • C19-H32-N2-O2.C2-H4-O3

Molecular Formula Fragments

  • C19-H32-N2-O2
  • C2-H4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C19H32N2O2.C2H4O3/c1-13(2)10-18(11-14(3)4)21-15(5)12-23-19(22)16-6-8-17(20)9-7-16;3-1-2(4)5/h6-9,13-15,18,21H,10-12,20H2,1-5H3;3H,1H2,(H,4,5)

InChIKey

JHCJSHKRCXOAIA-UHFFFAOYSA-N

Smiles

C([NH2+][C@@H](COC(c1ccc(N)cc1)=O)C)(CC(C)C)CC(C)C.C(CO)(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 475mg/kg (475mg/kg)   Journal of the American Chemical Society. Vol. 66, Pg. 1453, 1944.