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Substance Name: Benzoic acid, p-amino-, 2-(1-isobutyl-3-methylbutylamino)butyl ester, glycolate
RN: 69815-31-2
InChIKey: MWTJISKZKIBTOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H34-N2-O2.C2-H4-O3

Molecular Weight

  • 410.551
 
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Names and Synonyms

Synonym

  • p-Aminobenzoic acid 2-(1-isobutyl-3-methylbutylamino)butyl ester glycolate

Systematic Name

  • Benzoic acid, p-amino-, 2-(1-isobutyl-3-methylbutylamino)butyl ester, glycolate

Registry Numbers

CAS Registry Number

  • 69815-31-2

System Generated Number

  • 0069815312

Molecular Formulas

Molecular Formula

  • C20-H34-N2-O2.C2-H4-O3

Molecular Formula Fragments

  • C2-H4-O3
  • C20-H34-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H34N2O2.C2H4O3/c1-6-18(22-19(11-14(2)3)12-15(4)5)13-24-20(23)16-7-9-17(21)10-8-16;3-1-2(4)5/h7-10,14-15,18-19,22H,6,11-13,21H2,1-5H3;3H,1H2,(H,4,5)

InChIKey

MWTJISKZKIBTOR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.
mouse LD50 subcutaneous 700mg/kg (700mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 90, Pg. 181, 1947.