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Substance Name: 2H-1-Benzopyran-2-one, 6-methyl-8-(2-propenyloxy)-3-(1H-tetrazol-5-yl)-
RN: 76239-46-8
InChIKey: WHNSEKOCQCFFCQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H12-N4-O3

Molecular Weight

  • 284.2738
 
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Names and Synonyms

Synonyms

  • 6-Methyl-8-(2-propenyloxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 8-Allyloxy-6-methyl-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 6-methyl-8-(2-propenyloxy)-3-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 76239-46-8

System Generated Number

  • 0076239468

Structure Descriptors

InChI

1S/C14H12N4O3/c1-3-4-20-11-6-8(2)5-9-7-10(13-15-17-18-16-13)14(19)21-12(9)11/h3,5-7H,1,4H2,2H3,(H,15,16,17,18)

InChIKey

WHNSEKOCQCFFCQ-UHFFFAOYSA-N

Smiles

Cc1cc(OCC=C)c2OC(=O)C(=Cc2c1)c3nnn[nH]3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   European Patent Application. Vol. #0011839,