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Substance Name: 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-
RN: 173469-89-1
InChIKey: ZDKKXZIAGZMERT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H17-Cl-O5

Molecular Weight

  • 372.8023
 
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Names and Synonyms

Synonym

  • 2-(4-Chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-4H-1-benzopyran-6-acetic acid

Systematic Name

  • 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-3-methoxy-4-oxo-

Registry Numbers

CAS Registry Number

  • 173469-89-1

System Generated Number

  • 0173469891

Structure Descriptors

InChI

1S/C20H17ClO5/c1-3-14(20(23)24)12-6-9-16-15(10-12)17(22)19(25-2)18(26-16)11-4-7-13(21)8-5-11/h4-10,14H,3H2,1-2H3,(H,23,24)

InChIKey

ZDKKXZIAGZMERT-UHFFFAOYSA-N

Smiles

CCC(C(=O)O)c1ccc2OC(=C(OC)C(=O)c2c1)c3ccc(Cl)cc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD unreported > 2gm/kg (2000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 34, Pg. 879, 1995.