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Substance Name: 2H-1-Benzopyran-2-one, 8-(2-(2-methylpropoxy)ethoxy)-3-(1H-tetrazol-5-yl)-
RN: 80916-85-4
InChIKey: IKRFXOLDWNDWIQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H18-N4-O4

Molecular Weight

  • 330.3422
 
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Names and Synonyms

Synonyms

  • 8-(2-(2-Methylpropoxy)ethoxy)-3-(1H-tetrazol-5-yl)-2H-1-benzopyran-2-one
  • 8-(5-Methyl-3-oxahexyloxy)-3-(1H-tetrazol-5-yl)coumarin

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 80916-85-4

System Generated Number

  • 0080916854

Structure Descriptors

InChI

1S/C16H18N4O4/c1-10(2)9-22-6-7-23-13-5-3-4-11-8-12(15-17-19-20-18-15)16(21)24-14(11)13/h3-5,8,10H,6-7,9H2,1-2H3,(H,17,18,19,20)

InChIKey

IKRFXOLDWNDWIQ-UHFFFAOYSA-N

Smiles

CC(C)COCCOc1cccc2c1oc(=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. #0039913,