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Substance Name: 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-3,5-dimethyl-8-hydroxy-6-oxo-4-(trifluoromethyl)-
RN: 142689-11-0
InChIKey: YEBBENWDGUPUMS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-F3-O5

Molecular Weight

  • 304.2189
 
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Names and Synonyms

  • 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-3,5-dimethyl-8-hydroxy-6-oxo-4-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 142689-11-0

System Generated Number

  • 0142689110

Structure Descriptors

InChI

1S/C13H11F3O5/c1-4-7-6(11(18)8(10(4)17)12(19)20)3-21-5(2)9(7)13(14,15)16/h3,5,9,18H,1-2H3,(H,19,20)

InChIKey

YEBBENWDGUPUMS-UHFFFAOYSA-N

Smiles

CC1C(C2=C(C(=O)C(=C(C2=CO1)O)C(=O)O)C)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 8gm/kg (8000mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #92-69337,