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Substance Name: Azafenidin [ISO]
RN: 68049-83-2
UNII: XQK9668H5M
InChIKey: XOEMATDHVZOBSG-UHFFFAOYSA-N

Molecular Formula

  • C15-H13-Cl2-N3-O2

Molecular Weight

  • 338.1927
 
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Names and Synonyms

Name of Substance

  • Azafenidin
  • Azafenidin [ISO]

Synonyms

  • Azafeniden
  • UNII-XQK9668H5M

Systematic Name

  • 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(2,4-dichloro-5-(2-propynyloxy)phenyl)-5,6,7,8-tetrahydro-

Registry Numbers

CAS Registry Number

  • 68049-83-2

FDA UNII

  • XQK9668H5M

System Generated Number

  • 0068049832

Structure Descriptors

InChI

1S/C15H13Cl2N3O2/c1-2-7-22-13-9-12(10(16)8-11(13)17)20-15(21)19-6-4-3-5-14(19)18-20/h1,8-9H,3-7H2

InChIKey

XOEMATDHVZOBSG-UHFFFAOYSA-N

Smiles

C1CCn2c(nn(c3cc(c(cc3Cl)Cl)OCC#C)c2=O)C1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 168 deg C   EXP
Water Solubility 16 mg/L   EXP
Vapor Pressure 7.50E-12 mm Hg 20 EXP
Henry's Law Constant 2.76E-13 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.43E-11 cm3/molecule-sec 25 EST

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