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Substance Name: 2H-1-Benzopyran-2-one, 8-(2-phenoxyethoxy)-3-(1H-tetrazol-5-yl)-
RN: 80916-90-1
InChIKey: LNRPOCCRGUTYRK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H14-N4-O4

Molecular Weight

  • 350.3326
 
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Names and Synonyms

Synonyms

  • 8-(2-Phenoxyethoxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 8-(2-Phenoxyethyloxy)-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 8-(2-phenoxyethoxy)-3-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 80916-90-1

System Generated Number

  • 0080916901

Structure Descriptors

InChI

1S/C18H14N4O4/c23-18-14(17-19-21-22-20-17)11-12-5-4-8-15(16(12)26-18)25-10-9-24-13-6-2-1-3-7-13/h1-8,11H,9-10H2,(H,19,20,21,22)

InChIKey

LNRPOCCRGUTYRK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)OCCOc2cccc3c2oc(=O)c(c3)c4[nH]nnn4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2gm/kg (2000mg/kg)   European Patent Application. Vol. #0039913,