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Substance Name: 4H-1-Benzopyran-4-one, 5-(3-(4-chlorophenoxy)-2-hydroxypropoxy)-2-(1H-tetrazol-5-yl)-
RN: 53736-48-4
InChIKey: WMMASSSXZPGHJX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H15-Cl-N4-O5

Molecular Weight

  • 414.8035
 
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Names and Synonyms

Synonyms

  • 1-(4-Chlorophenoxy)-2-hydroxy-3-(2-(5-1H-tetrazolyl)-chromon-5-yloxy)-propane
  • 5-(3-(4-Chlorophenoxy)-2-hydroxypropoxy)-2-(1H-tetrazol-5-yl)-4H-1-benzopyran-4-one

Systematic Name

  • 4H-1-Benzopyran-4-one, 5-(3-(4-chlorophenoxy)-2-hydroxypropoxy)-2-(1H-tetrazol-5-yl)-

Registry Numbers

CAS Registry Number

  • 53736-48-4

System Generated Number

  • 0053736484

Structure Descriptors

InChI

1S/C19H15ClN4O5/c20-11-4-6-13(7-5-11)27-9-12(25)10-28-15-2-1-3-16-18(15)14(26)8-17(29-16)19-21-23-24-22-19/h1-8,12,25H,9-10H2,(H,21,22,23,24)

InChIKey

WMMASSSXZPGHJX-UHFFFAOYSA-N

Smiles

c1cc2c(c(c1)OCC(COc3ccc(cc3)Cl)O)c(=O)cc(o2)c4[nH]nnn4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous > 747ug/kg (0.747mg/kg)   United States Patent Document. Vol. #4238495,