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Substance Name: Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride
RN: 80381-21-1
InChIKey: QLDOORIMSHRBPP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O2.Cl-H

Molecular Weight

  • 309.835
 
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Names and Synonyms

Synonym

  • 2-Phenylbutyric acid 3-quinuclidinyl ester hydrochloride

Systematic Name

  • Butyric acid, 2-phenyl-, 3-quinuclidinyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 80381-21-1

System Generated Number

  • 0080381211

Molecular Formulas

Molecular Formula

  • C17-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23NO2.ClH/c1-2-15(13-6-4-3-5-7-13)17(19)20-16-12-18-10-8-14(16)9-11-18;/h3-7,14-16H,2,8-12H2,1H3;1H

InChIKey

QLDOORIMSHRBPP-UHFFFAOYSA-N

Smiles

C12[C@@H](OC([C@@H](c3ccccc3)CC)=O)C[NH+](CC1)CC2.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 115mg/kg (115mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 15, Pg. 569, 1981.
mouse LD50 intravenous 35mg/kg (35mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 15, Pg. 569, 1981.