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Substance Name: 2H-1-Benzopyran-2-one, 8-butoxy-3-(1H-tetrazol-5-yl)-
RN: 76239-30-0
InChIKey: JOLPAQACPXCSPY-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

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76239-30-0

System Generated Number

  • 0076239300

Structure Descriptors

InChI

1S/C14H14N4O3/c1-2-3-7-20-11-6-4-5-9-8-10(13-15-17-18-16-13)14(19)21-12(9)11/h4-6,8H,2-3,7H2,1H3,(H,15,16,17,18)

InChIKey

JOLPAQACPXCSPY-UHFFFAOYSA-N

Smiles

CCCCOc1cccc2c1oc(=O)c(c2)c3[nH]nnn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2380mg/kg (2380mg/kg)   European Patent Application. Vol. #0011839,