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Substance Name: Xanthene-9-carboxylic acid, 1-benzyl-3-pyrrolidinyl ester, hydrochloride
RN: 102584-98-5
InChIKey: GAQZUMLDBJWAPU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H23-N-O3.Cl-H

Molecular Weight

  • 421.9216
 
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Names and Synonyms

Synonyms

  • 1-Benzyl-3-pyrrolidinylxanthene-9-carboxylate hydrochloride
  • 9H-Xanthene-9-carboxylic acid, 1-(phenylmethyl)-3-pyrrolidinyl ester, hydrochloride
  • AHR 343

Systematic Name

  • Xanthene-9-carboxylic acid, 1-benzyl-3-pyrrolidinyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102584-98-5

System Generated Number

  • 0102584985

Molecular Formulas

Molecular Formula

  • C25-H23-N-O3.Cl-H

Molecular Formula Fragments

  • C25-H23-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H23NO3.ClH/c27-25(28)24-20-10-4-5-11-21(20)29-22-16-19(26-12-6-7-13-26)15-18(23(22)24)14-17-8-2-1-3-9-17;/h1-5,8-11,15-16,24H,6-7,12-14H2,(H,27,28);1H

InChIKey

GAQZUMLDBJWAPU-UHFFFAOYSA-N

Smiles

c12[C@@H](c3ccccc3Oc2cc(cc1Cc1ccccc1)N1CCCC1)C(=O)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 897mg/kg (897mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 523, 1960.