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Substance Name: 2H-1-Benzopyran-2-one, 7-ethoxy-6-(3-methyl-2-butenyl)-3-(1H-tetrazol-5-yl)-
RN: 76239-49-1
InChIKey: ACJONDVTWOHKQG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N4-O3

Molecular Weight

  • 326.3542
 
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Names and Synonyms

Synonyms

  • 7-Ethoxy-6-(3-methyl-2-butenyl)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 7-Ethoxy-6-(3-methyl-2-butenyl)-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

  • 2H-1-Benzopyran-2-one, 7-ethoxy-6-(3-methyl-2-butenyl)-3-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 76239-49-1

System Generated Number

  • 0076239491

Structure Descriptors

InChI

1S/C17H18N4O3/c1-4-23-14-9-15-12(7-11(14)6-5-10(2)3)8-13(17(22)24-15)16-18-20-21-19-16/h5,7-9H,4,6H2,1-3H3,(H,18,19,20,21)

InChIKey

ACJONDVTWOHKQG-UHFFFAOYSA-N

Smiles

CCOc1cc2c(cc1CC=C(C)C)cc(c(=O)o2)c3[nH]nnn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 500mg/kg (500mg/kg)   European Patent Application. Vol. #0011839,