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Substance Name: Coumarin, 3-(p-chloro-alpha-ethylbenzyl)-4-hydroxy-
RN: 2728-02-1
InChIKey: QGCOFSZSZWRICF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H15-Cl-O3

Molecular Weight

  • 314.767
 
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Names and Synonyms

Synonyms

  • 2H-1-Benzopyran-2-one, 3-(1-(4-chlorophenyl)propyl)-4-hydroxy-
  • 3-(1'-(p-Chlorophenyl)-propyl)-4-oxy-cumarin
  • 3-(1'-(p-Chlorophenyl)-propyl)-4-oxy-cumarin [German]
  • 3-(p-Chloro-alpha-ethylbenzyl)-4-hydroxycoumarin
  • 5-18-02-00344 (Beilstein Handbook Reference)
  • BRN 1351487

Systematic Name

  • Coumarin, 3-(p-chloro-alpha-ethylbenzyl)-4-hydroxy-

Registry Numbers

CAS Registry Number

  • 2728-02-1

System Generated Number

  • 0002728021

Structure Descriptors

InChI

1S/C18H15ClO3/c1-2-13(11-7-9-12(19)10-8-11)16-17(20)14-5-3-4-6-15(14)22-18(16)21/h3-10,13,20H,2H2,1H3

InChIKey

QGCOFSZSZWRICF-UHFFFAOYSA-N

Smiles

c1([C@@H](c2ccc(Cl)cc2)CC)c(c2c(cccc2)oc1=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 80mg/kg (80mg/kg)   Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 222, Pg. 107, 1954.