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Substance Name: 4H-1-Benzopyran-6-acetic acid, 2-(4-chlorophenyl)-alpha-ethyl-4-oxo-3-(phenylmethoxy)-
RN: 173469-90-4
InChIKey: HZVNYPFKCKMEKU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H21-Cl-O5

Molecular Weight

  • 448.8999
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 173469-90-4

System Generated Number

  • 0173469904

Structure Descriptors

InChI

1S/C26H21ClO5/c1-2-20(26(29)30)18-10-13-22-21(14-18)23(28)25(31-15-16-6-4-3-5-7-16)24(32-22)17-8-11-19(27)12-9-17/h3-14,20H,2,15H2,1H3,(H,29,30)

InChIKey

HZVNYPFKCKMEKU-UHFFFAOYSA-N

Smiles

CCC(c1ccc2c(c1)c(=O)c(c(o2)c3ccc(cc3)Cl)OCc4ccccc4)C(=O)O

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.