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Substance Name: Benzoic acid, p-(propylamino)-, 2-hydroxy-3-(propylamino)propyl ester, hydrochloride
RN: 100482-40-4
InChIKey: UCDTWBJKPRGBCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H26-N2-O3.Cl-H

Molecular Weight

  • 330.853
 
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Names and Synonyms

Synonym

  • 2-Hydroxy-3-(propylamino)propyl p-(propylamino)benzoate hydrochloride

Systematic Name

  • Benzoic acid, p-(propylamino)-, 2-hydroxy-3-(propylamino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 100482-40-4

System Generated Number

  • 0100482404

Molecular Formulas

Molecular Formula

  • C16-H26-N2-O3.Cl-H

Molecular Formula Fragments

  • C16-H26-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H26N2O3.ClH/c1-3-9-17-11-15(19)12-21-16(20)13-5-7-14(8-6-13)18-10-4-2;/h5-8,15,17-19H,3-4,9-12H2,1-2H3;1H

InChIKey

UCDTWBJKPRGBCE-UHFFFAOYSA-N

Smiles

c1(ccc(NCCC)cc1)C(OC[C@@H](C[NH2+]CCC)O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 7500ug/kg (7.5mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1491, 1967.