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Substance Name: Benzoic acid, p-propoxy-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
RN: 3686-69-9
InChIKey: GMWSUJWYXLPLLA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C16-H23-N-O3.Cl-H

Molecular Weight

  • 313.823
 
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Names and Synonyms

Synonyms

  • 1-Rbo-12-A
  • NSC 2333
  • p-Propoxybenzoic acid 2-(1-pyrrolidinyl)ethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-propoxy-, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3686-69-9

System Generated Number

  • 0003686699

Molecular Formulas

Molecular Formula

  • C16-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H23NO3.ClH/c1-2-12-19-15-7-5-14(6-8-15)16(18)20-13-11-17-9-3-4-10-17;/h5-8H,2-4,9-13H2,1H3;1H

InChIKey

GMWSUJWYXLPLLA-UHFFFAOYSA-N

Smiles

c1(ccc(OCCC)cc1)C(OCC[NH+]1CCCC1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 158mg/kg (158mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 137, Pg. 410, 1962.