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Substance Name: Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)
RN: 67031-51-0
InChIKey: KXADUILFVSZACA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N2-O2.1/3C6-H8-O7

Molecular Weight

  • 484.542
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-((1-methylheptyl)amino)ethyl ester citrate (3:1)

Systematic Name

  • Benzoic acid, p-amino-, 2-((1-methylheptyl)amino)ethyl ester, citrate (3:1)

Registry Numbers

CAS Registry Number

  • 67031-51-0

System Generated Number

  • 0067031510

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O2.1/3C6-H8-O7

Molecular Formula Fragments

  • C17-H28-N2-O2
  • C6-H8-O7
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N2O2.C6H8O7/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;7-2-6(4(10)11,5(12)13)1-3(8)9/h8-11,14,19H,3-7,12-13,18H2,1-2H3;7H,1-2H2,(H,8,9)(H,10,11)(H,12,13)

InChIKey

KXADUILFVSZACA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 150mg/kg (150mg/kg)   Journal of the American Chemical Society. Vol. 66, Pg. 1448, 1944.