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Substance Name: 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride
RN: 3468-03-9
InChIKey: QFJMLRAUJHSEOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H21-N-O4.Cl-H

Molecular Weight

  • 387.861
 
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Names and Synonyms

Synonyms

  • Dimethylaminoethyl 3-methylflavone-8-carboxylate hydrochloride
  • REC 1-0269

Systematic Name

  • 4H-1-Benzopyran-8-carboxylic acid, 3-methyl-4-oxo-2-phenyl-, 2-(dimethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 3468-03-9

System Generated Number

  • 0003468039

Molecular Formulas

Molecular Formula

  • C21-H21-N-O4.Cl-H

Molecular Formula Fragments

  • C21-H21-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H21NO4.ClH/c1-14-18(23)16-10-7-11-17(21(24)25-13-12-22(2)3)20(16)26-19(14)15-8-5-4-6-9-15;/h4-11H,12-13H2,1-3H3;1H

InChIKey

QFJMLRAUJHSEOY-UHFFFAOYSA-N

Smiles

c12c(c(c(C)c(o2)c2ccccc2)=O)cccc1C(OCC[NH+](C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intraperitoneal 315mg/kg (315mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 2, Pg. 263, 1960.