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Substance Name: 2H-1-Benzopyran-2-one, 8-(2-(1-methylethoxy)ethoxy)-3-(1H-tetrazol-5-yl)-
RN: 80916-83-2
InChIKey: UBXSNCXHAHIWLG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H16-N4-O4

Molecular Weight

  • 316.3154
 
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Names and Synonyms

Synonyms

  • 8-(2-(1-Methylethoxy)ethoxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 8-(4-Methyl-3-oxapentyloxy)-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80916-83-2

System Generated Number

  • 0080916832

Structure Descriptors

InChI

1S/C15H16N4O4/c1-9(2)21-6-7-22-12-5-3-4-10-8-11(14-16-18-19-17-14)15(20)23-13(10)12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17,18,19)

InChIKey

UBXSNCXHAHIWLG-UHFFFAOYSA-N

Smiles

CC(C)OCCOc1cccc2c1oc(=O)c(c2)c3[nH]nnn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   European Patent Application. Vol. #0039913,