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Substance Name: 2H-1-Benzopyran-2-one, 8-(nonyloxy)-3-(1H-tetrazol-5-yl)-
RN: 76253-49-1
InChIKey: JYMNBIWDSUYAFR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H24-N4-O3

Molecular Weight

  • 356.4236
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76253-49-1

System Generated Number

  • 0076253491

Structure Descriptors

InChI

1S/C19H24N4O3/c1-2-3-4-5-6-7-8-12-25-16-11-9-10-14-13-15(18-20-22-23-21-18)19(24)26-17(14)16/h9-11,13H,2-8,12H2,1H3,(H,20,21,22,23)

InChIKey

JYMNBIWDSUYAFR-UHFFFAOYSA-N

Smiles

CCCCCCCCCOc1cccc2c1oc(=O)c(c2)c3[nH]nnn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   European Patent Application. Vol. #0011839,