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Substance Name: 2H-1-Benzopyran-2-one, 8-(heptyloxy)-3-(1H-tetrazol-5-yl)-
RN: 76239-33-3
InChIKey: CMELHFFEZFIORR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N4-O3

Molecular Weight

  • 328.37
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 76239-33-3

System Generated Number

  • 0076239333

Structure Descriptors

InChI

1S/C17H20N4O3/c1-2-3-4-5-6-10-23-14-9-7-8-12-11-13(16-18-20-21-19-16)17(22)24-15(12)14/h7-9,11H,2-6,10H2,1H3,(H,18,19,20,21)

InChIKey

CMELHFFEZFIORR-UHFFFAOYSA-N

Smiles

CCCCCCCOc1cccc2c1oc(=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,