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Substance Name: 1-Pyrrolidineethanol, alpha-phenyl-, 3,4-dichlorobenzoate (ester), hydrochloride
RN: 109554-80-5
InChIKey: PLXANVLIFWXARJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-Cl2-N-O2.Cl-H

Molecular Weight

  • 400.731
 
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Names and Synonyms

Synonyms

  • alpha-Phenyl-1-pyrrolidineethanol 3,4-dichlorobenzoate (ester) hydrochloride
  • Benzoic acid, 3,4-dichloro-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

Systematic Name

  • 1-Pyrrolidineethanol, alpha-phenyl-, 3,4-dichlorobenzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 109554-80-5

System Generated Number

  • 0109554805

Molecular Formulas

Molecular Formula

  • C19-H19-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C19-H19-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H19Cl2NO2.ClH/c20-16-9-8-15(12-17(16)21)19(23)24-18(13-22-10-4-5-11-22)14-6-2-1-3-7-14;/h1-3,6-9,12,18H,4-5,10-11,13H2;1H

InChIKey

PLXANVLIFWXARJ-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(CN2CCCC2)OC(=O)c3ccc(c(c3)Cl)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 1gm/kg (1000mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.