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Substance Name: 1-Pyrrolidineethanol, alpha-phenyl-, p-butoxybenzoate (ester), hydrochloride
RN: 113649-44-8
InChIKey: OCLBIWBZAPALEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Weight

  • 403.947
 
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Names and Synonyms

Synonyms

  • alpha-Phenyl-1-pyrrolidineethanol p-butoxybenzoate (ester) hydrochloride
  • Benzoic acid, p-butoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

Systematic Name

  • 1-Pyrrolidineethanol, alpha-phenyl-, p-butoxybenzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 113649-44-8

System Generated Number

  • 0113649448

Molecular Formulas

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO3.ClH/c1-2-3-17-26-21-13-11-20(12-14-21)23(25)27-22(18-24-15-7-8-16-24)19-9-5-4-6-10-19;/h4-6,9-14,22H,2-3,7-8,15-18H2,1H3;1H

InChIKey

OCLBIWBZAPALEK-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(cc1)C(=O)OC(CN2CCCC2)c3ccccc3.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.