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Substance Name: 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-5-bromo-3,4-dimethyl-8-hydroxy-6-oxo-
RN: 142689-07-4
InChIKey: JQXFIQGPVGNGBY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-Br-O5

Molecular Weight

  • 315.1179
 
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Names and Synonyms

Synonym

  • 4,6-Dihydro-5-bromo-3,4-dimethyl-8-hydroxy-6-oxo-3H-2-benzopyran-7-carboxylic acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142689-07-4

System Generated Number

  • 0142689074

Structure Descriptors

InChI

1S/C12H11BrO5/c1-4-5(2)18-3-6-7(4)9(13)11(15)8(10(6)14)12(16)17/h3-5,14H,1-2H3,(H,16,17)

InChIKey

JQXFIQGPVGNGBY-UHFFFAOYSA-N

Smiles

CC1C(OC=C2C1=C(C(=O)C(=C2O)C(=O)O)Br)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,