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Substance Name: Benzoic acid, 4-butylamino-2-propoxy-, 3-piperidinopropyl ester, dihydrochloride
RN: 100347-55-5
InChIKey: VEQBJTZFBGPLMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H36-N2-O3.2Cl-H

Molecular Weight

  • 449.459
 
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Names and Synonyms

Synonyms

  • 4-Butylamino-2-propoxybenzoic acid 3-piperidinopropyl ester dihydrochloride
  • WIN 3444

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 100347-55-5

System Generated Number

  • 0100347555

Molecular Formulas

Molecular Formula

  • C22-H36-N2-O3.2Cl-H

Molecular Formula Fragments

  • C22-H36-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H36N2O3.2ClH/c1-3-5-12-23-19-10-11-20(21(18-19)26-16-4-2)22(25)27-17-9-15-24-13-7-6-8-14-24;;/h10-11,18,23H,3-9,12-17H2,1-2H3;2*1H

InChIKey

VEQBJTZFBGPLMQ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 4056ug/kg (4.056mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 269, 1958.