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Substance Name: 2H-1-Benzopyran-2-one, 6-methyl-8-(1-methylethoxy)-3-(1H-tetrazol-5-yl)-
RN: 76239-42-4
InChIKey: YEHLDZJUKQHACA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N4-O3

Molecular Weight

  • 286.2896
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76239-42-4

System Generated Number

  • 0076239424

Structure Descriptors

InChI

1S/C14H14N4O3/c1-7(2)20-11-5-8(3)4-9-6-10(13-15-17-18-16-13)14(19)21-12(9)11/h4-7H,1-3H3,(H,15,16,17,18)

InChIKey

YEHLDZJUKQHACA-UHFFFAOYSA-N

Smiles

CC(C)Oc1cc(C)cc2C=C(C(=O)Oc12)c3nnn[nH]3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2200mg/kg (2200mg/kg)   European Patent Application. Vol. #0011839,