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Substance Name: Benzoic acid, 4-butylamino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride
RN: 100311-23-7
InChIKey: IIAZLESTLKPXMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N2-O3.2Cl-H

Molecular Weight

  • 435.432
 
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Names and Synonyms

Synonyms

  • 4-Butylamino-2-ethoxy-benzoic acid 3-piperidinopropyl ester dihydrochloride
  • WIN 3548

Systematic Name

  • Benzoic acid, 4-butylamino-2-ethoxy-, 3-piperidinopropyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 100311-23-7

System Generated Number

  • 0100311237

Molecular Formulas

Molecular Formula

  • C21-H34-N2-O3.2Cl-H

Molecular Formula Fragments

  • C21-H34-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H34N2O3.2ClH/c1-3-5-12-22-18-10-11-19(20(17-18)25-4-2)21(24)26-16-9-15-23-13-7-6-8-14-23;;/h10-11,17,22H,3-9,12-16H2,1-2H3;2*1H

InChIKey

IIAZLESTLKPXMW-UHFFFAOYSA-N

Smiles

c1(c(cc([NH+]CCCC)cc1)OCC)C(OCCC[NH+]1CCCCC1)=O.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5648ug/kg (5.648mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Journal of Pharmacology and Experimental Therapeutics. Vol. 104, Pg. 40, 1952.