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Substance Name: 2(3H)-Benzofuranone, 3-(3-(dibutylamino)propyl)-3-phenyl-, hydrochloride
RN: 63917-60-2
InChIKey: DWYCPPAVBIZSHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H33-N-O2.Cl-H

Molecular Weight

  • 416.002
 
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Names and Synonyms

Synonym

  • AP 81

Systematic Name

  • 2(3H)-Benzofuranone, 3-(3-(dibutylamino)propyl)-3-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63917-60-2

System Generated Number

  • 0063917602

Molecular Formulas

Molecular Formula

  • C26-H33-N-O2.Cl-H

Molecular Formula Fragments

  • C26-H33-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33NO2.ClH/c1-3-5-18-26(19-6-4-2)20-12-17-25(21-13-8-7-9-14-21)22-15-10-11-16-23(22)28-24(25)27;/h7-11,13-16H,3-6,12,17-20H2,1-2H3;1H

InChIKey

DWYCPPAVBIZSHC-UHFFFAOYSA-N

Smiles

c12[C@@](c3ccccc3)(C(Oc1cccc2)=O)CCC[NH+](CCCC)CCCC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 387, 1945.