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Substance Name: 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-yl)-
RN: 89782-15-0
InChIKey: GJBUEKZGWCKKDD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-N2-O3

Molecular Weight

  • 242.233
 
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Names and Synonyms

Synonyms

  • 3-(1H-Imidazol-1-yl)-2H-1-benzopyran-6-carboxylic acid
  • BRN 4321140

Systematic Name

  • 2H-1-Benzopyran-6-carboxylic acid, 3-(1H-imidazol-1-yl)-

Registry Numbers

CAS Registry Number

  • 89782-15-0

System Generated Number

  • 0089782150

Structure Descriptors

InChI

1S/C13H10N2O3/c16-13(17)9-1-2-12-10(5-9)6-11(7-18-12)15-4-3-14-8-15/h1-6,8H,7H2,(H,16,17)

InChIKey

GJBUEKZGWCKKDD-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc2OCC(=Cc2c1)n3ccnc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 800mg/kg (800mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 26, Pg. 423, 1991.