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Substance Name: Benzoic acid, p-(ethylamino)-, 2-hydroxy-3-(1-pyrrolidinyl)propyl ester, hydrochloride
RN: 100482-31-3
InChIKey: ITXAUHYKAVJIJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N2-O3.Cl-H

Molecular Weight

  • 328.837
 
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Names and Synonyms

Synonym

  • 2-Hydroxy-3-(1-pyrrolidinyl)propyl p-(ethylamino)benzoate hydrochloride

Systematic Name

  • Benzoic acid, p-(ethylamino)-, 2-hydroxy-3-(1-pyrrolidinyl)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 100482-31-3

System Generated Number

  • 0100482313

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O3.Cl-H

Molecular Formula Fragments

  • C16-H24-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N2O3.ClH/c1-2-17-14-7-5-13(6-8-14)16(20)21-12-15(19)11-18-9-3-4-10-18;/h5-8,15,17,19H,2-4,9-12H2,1H3;1H

InChIKey

ITXAUHYKAVJIJO-UHFFFAOYSA-N

Smiles

c1(ccc(NCC)cc1)C(OC[C@@H](C[NH+]1CCCC1)O)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 30mg/kg (30mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 17, Pg. 1491, 1967.