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Substance Name: 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3,4-dimethyl-
RN: 142689-02-9
InChIKey: AEFAWMKRLJJSOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H13-Cl-O5

Molecular Weight

  • 272.6827
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 142689-02-9

System Generated Number

  • 0142689029

Structure Descriptors

InChI

1S/C12H13ClO5/c1-4-5(2)18-3-6-7(4)9(13)11(15)8(10(6)14)12(16)17/h4-5,14-15H,3H2,1-2H3,(H,16,17)

InChIKey

AEFAWMKRLJJSOV-UHFFFAOYSA-N

Smiles

CC1c2c(c(c(c(c2Cl)O)C(=O)O)O)COC1C

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,