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Substance Name: 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-
RN: 142689-12-1
InChIKey: MUKRQAAIHBJBEK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H13-F3-O5

Molecular Weight

  • 306.2347
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-1H-2-benzopyran-7-carboxylic acid

Systematic Name

  • 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,5-dimethyl-4-(trifluoromethyl)-

Registry Numbers

CAS Registry Number

  • 142689-12-1

System Generated Number

  • 0142689121

Structure Descriptors

InChI

1S/C13H13F3O5/c1-4-7-6(11(18)8(10(4)17)12(19)20)3-21-5(2)9(7)13(14,15)16/h5,9,17-18H,3H2,1-2H3,(H,19,20)

InChIKey

MUKRQAAIHBJBEK-UHFFFAOYSA-N

Smiles

Cc1c2c(c(c(c1O)C(=O)O)O)COC(C2C(F)(F)F)C

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,