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Substance Name: 2H-1-Benzopyran-2-one, 8-(2-(2-propenyloxy)ethoxy)-3-(1H-tetrazol-5-yl)-
RN: 80916-88-7
InChIKey: CJMQNDLHXVWERS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-N4-O4

Molecular Weight

  • 314.2996
 
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Names and Synonyms

Synonyms

  • 8-(2-(2-Propenyloxy)ethoxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 8-(3-Oxa-5-hexenyloxy)-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80916-88-7

System Generated Number

  • 0080916887

Structure Descriptors

InChI

1S/C15H14N4O4/c1-2-6-21-7-8-22-12-5-3-4-10-9-11(14-16-18-19-17-14)15(20)23-13(10)12/h2-5,9H,1,6-8H2,(H,16,17,18,19)

InChIKey

CJMQNDLHXVWERS-UHFFFAOYSA-N

Smiles

C=CCOCCOc1cccc2c1oc(=O)c(c2)c3[nH]nnn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1500mg/kg (1500mg/kg)   European Patent Application. Vol. #0039913,