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Tc-99m Nitroimidazole

Base Information
  • Chemical Name:Tc-99m Nitroimidazole
  • CAS No.:149447-21-2
  • Molecular Formula:C16H25 N7 O5 Tc . H
  • Molecular Weight:495.3278
  • Hs Code.:
  • UNII:48JMI4M3B3
  • Mol file:149447-21-2.mol
Tc-99m Nitroimidazole

Synonyms:BMB-181321;BMS 181321;oxo-((3,3,9,9-tetramethyl-1-(2-nitro-1H-imidazol-1-yl)-4,8-diazaundecane-2,10-dionedioximato)-(3-)-N,N',N'',N''')technetium;Tc-99m nitroimidazole;Tc-99m-BMS-181321;technetium Tc 99m BMS 181321;technetium-99m nitroimidazole

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Chemical Property of Tc-99m Nitroimidazole
Chemical Property:
  • Vapor Pressure:3.6E-16mmHg at 25°C 
  • Boiling Point:618.8°Cat760mmHg 
  • Flash Point:328°C 
  • PSA:140.88000 
  • Density:g/cm3 
  • LogP:3.73130 
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:10
  • Rotatable Bond Count:10
  • Exact Mass:495.105792
  • Heavy Atom Count:29
  • Complexity:560
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MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:[H+].CC(=N[O-])C(C)(C)[N-]CCC[N-]C(C)(C)C(=N[O-])CN1C=CN=C1[N+](=O)[O-].O=[Tc+3]
  • Isomeric SMILES:[H+].C/C(=N\[O-])/C(C)(C)[N-]CCC[N-]C(C)(C)/C(=N/[O-])/CN1C=CN=C1[N+](=O)[O-].O=[99Tc+3]
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