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Substance Name: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate
RN: 69782-54-3
InChIKey: SLPRUBZJUBSBJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N2-O2.C2-H4-O2

Molecular Weight

  • 352.472
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester acetate

Systematic Name

  • Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, acetate

Registry Numbers

CAS Registry Number

  • 69782-54-3

System Generated Number

  • 0069782543

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O2.C2-H4-O2

Molecular Formula Fragments

  • C17-H28-N2-O2
  • C2-H4-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N2O2.C2H4O2/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;1-2(3)4/h8-11,14,19H,3-7,12-13,18H2,1-2H3;1H3,(H,3,4)

InChIKey

SLPRUBZJUBSBJO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 200mg/kg (200mg/kg)   Journal of the American Chemical Society. Vol. 66, Pg. 1448, 1944.