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Substance Name: 1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-
RN: 14098-44-3
InChIKey: FNEPSTUXZLEUCK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-O5

Molecular Weight

  • 268.307
 
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Names and Synonyms

Synonyms

  • 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
  • Benzo-15-crown-5
  • Benzo15C5
  • BRN 1624106
  • CCRIS 3608
  • Denzo15C5
  • EINECS 237-947-6

Systematic Names

  • 1,4,7,10,13-Benzopentaoxacyclopentadecin, 2,3,5,6,8,9,11,12-octahydro-
  • 2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin
  • Benzyl 15-crown-5

Registry Numbers

CAS Registry Number

  • 14098-44-3

System Generated Number

  • 0014098443

Structure Descriptors

InChI

1S/C14H20O5/c1-2-4-14-13(3-1)18-11-9-16-7-5-15-6-8-17-10-12-19-14/h1-4H,5-12H2

InChIKey

FNEPSTUXZLEUCK-UHFFFAOYSA-N

Smiles

C1COCCOc2ccccc2OCCOCCO1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 102mg/kg (102mg/kg)   Pharmaceutical Chemistry Journal Vol. 23, Pg. 164, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 78-80 deg C   EXP
log P (octanol-water) 0.91 (none)   EXP
Water Solubility 3120 mg/L 25 EST
Vapor Pressure 5.66E-06 mm Hg 25 EST
Henry's Law Constant 3.12E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.47E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.