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Substance Name: Acetic acid, phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride
RN: 94576-80-4
InChIKey: FCOUISAEKDBMMX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N-O3.Cl-H

Molecular Weight

  • 361.867
 
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Names and Synonyms

Synonym

  • Phenoxyacetic acid alpha-(1-pyrrolidinylmethyl)benzyl ester hydrochloride

Systematic Name

  • Acetic acid, phenoxy-, alpha-(1-pyrrolidinylmethyl)benzyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 94576-80-4

System Generated Number

  • 0094576804

Molecular Formulas

Molecular Formula

  • C20-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H23NO3.ClH/c22-20(16-23-18-11-5-2-6-12-18)24-19(15-21-13-7-8-14-21)17-9-3-1-4-10-17;/h1-6,9-12,19H,7-8,13-16H2;1H

InChIKey

FCOUISAEKDBMMX-UHFFFAOYSA-N

Smiles

c1([C@@H](C[NH+]2CCCC2)OC(COc2ccccc2)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 450mg/kg (450mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.