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Substance Name: 4H-1-Benzopyran-4-one, 5-(2-hydroxy-3-phenoxypropoxy)-2-(1H-tetrazol-5-yl)-
RN: 53736-70-2
InChIKey: CCOFWSKESGMMNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H16-N4-O5

Molecular Weight

  • 380.3584
 
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Names and Synonyms

Synonyms

  • 1-Phenoxy-2-hydroxy-3-(2-(5-1H-tetrazolyl)-chromon-5-yloxy)ppropane
  • 5-(2-Hydroxy-3-phenoxypropoxy)-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one

Systematic Name

  • 4H-1-Benzopyran-4-one, 5-(2-hydroxy-3-phenoxypropoxy)-2-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 53736-70-2

System Generated Number

  • 0053736702

Structure Descriptors

InChI

1S/C19H16N4O5/c24-12(10-26-13-5-2-1-3-6-13)11-27-15-7-4-8-16-18(15)14(25)9-17(28-16)19-20-22-23-21-19/h1-9,12,24H,10-11H2,(H,20,21,22,23)

InChIKey

CCOFWSKESGMMNT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)OCC(COc2cccc3c2c(=O)cc(o3)c4[nH]nnn4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4238495,