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Substance Name: 2(3H)-Benzofuranone, 3-(2-(diethylamino)ethyl)-5-methyl-3-propyl-, hydrochloride
RN: 63938-76-1
InChIKey: KKHORYRSUULMHO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O2.Cl-H

Molecular Weight

  • 325.877
 
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Names and Synonyms

Synonym

  • AP 52

Systematic Name

  • 2(3H)-Benzofuranone, 3-(2-(diethylamino)ethyl)-5-methyl-3-propyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 63938-76-1

System Generated Number

  • 0063938761

Molecular Formulas

Molecular Formula

  • C18-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO2.ClH/c1-5-10-18(11-12-19(6-2)7-3)15-13-14(4)8-9-16(15)21-17(18)20;/h8-9,13H,5-7,10-12H2,1-4H3;1H

InChIKey

KKHORYRSUULMHO-UHFFFAOYSA-N

Smiles

c12[C@@](C(Oc1ccc(c2)C)=O)(CC[NH+](CC)CC)CCC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 230mg/kg (230mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 84, Pg. 387, 1945.