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Substance Name: 2H-1-Benzopyran-2-one, 8-(1-methylethoxy)-3-(1H-tetrazol-5-yl)-
RN: 76239-28-6
InChIKey: ABALKWVZXVLIQJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N4-O3

Molecular Weight

  • 272.2628
 
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Names and Synonyms

Synonyms

  • 8-(1-Methylethoxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 8-Isopropoxy-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76239-28-6

System Generated Number

  • 0076239286

Structure Descriptors

InChI

1S/C13H12N4O3/c1-7(2)19-10-5-3-4-8-6-9(12-14-16-17-15-12)13(18)20-11(8)10/h3-7H,1-2H3,(H,14,15,16,17)

InChIKey

ABALKWVZXVLIQJ-UHFFFAOYSA-N

Smiles

CC(C)Oc1cccc2c1oc(=O)c(c2)c3[nH]nnn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2250mg/kg (2250mg/kg)   European Patent Application. Vol. #0011839,