7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

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Names

[ CAS No. ]:
137046-51-6

[ Name ]:
7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline

[Synonym ]:
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(4-(2-nitro-1H-imidazol-1-yl)butyl)
7-(4-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
NITP
7-(4'-(2-Nitroimidazole-1-yl)butyl)theophylline
7-<4-(2-nitroimidazol-1-yl)butyl>theophylline

Chemical & Physical Properties

[ Density]:
1.55g/cm3

[ Boiling Point ]:
665.2ºC at 760 mmHg

[ Molecular Formula ]:
C14H17N7O4

[ Molecular Weight ]:
347.32900

[ Flash Point ]:
356.1ºC

[ Exact Mass ]:
347.13400

[ PSA ]:
125.46000

[ LogP ]:
0.54200

[ Vapour Pressure ]:
1.46E-17mmHg at 25°C

[ Index of Refraction ]:
1.721

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Nitroimidazole
  • 7-(4-chlorobutyl)-1,3-dimethylpurine-2,6-dione
  • 1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-, sodium salt (1:1)

DownStream

Related Compounds

  • 7-[2-{5-(pentan-1-yl)-1,2,4-oxadiazol-3-yl}-ethan-1-yl]-theophylline
  • 7,4'-Dihydroxy-3'-prenylflavan
  • 7-(4'-tert-Butyl-phenyl)-2-(1-adamantylmethyl)-indan-1-one
  • 7-(4'-tert-Butyl-phenyl)-2-(1-adamantylmethyl)-1H-indene
  • 7-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione
  • 7-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione,dihydrobromide
  • Tert-butyl 8-(5-chloropyrazine-2-carbonyl)-2,8-diazaspiro[3.5]nonane-2-carboxylate
  • Tert-butyl 2-(5-chloropyrazine-2-carbonyl)-2,8-diazaspiro[3.5]nonane-8-carboxylate
  • Tert-butyl (1S,5R)-6-[(6-bromopyridine-3-carbonyl)-methylamino]-3-azabicyclo[3.1.0]hexane-3-carboxylate
  • 2-[(1R,4R)-4-[(2-Methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl]acetic acid
  • Tert-butyl N-[2-(5-bromo-4-methyl-1,2,4-triazol-3-yl)ethyl]carbamate
  • Tert-butyl N-[1-[(5-chloropyrazin-2-yl)methyl]pyrrolidin-3-yl]carbamate
  • Tert-butyl (3aR,7aS)-5-(5-bromopyrazin-2-yl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carboxylate
  • 4-[(2-Methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
  • Methyl 2-chloro-6,6-dioxo-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylate
  • 2-[1-(9H-Fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridin-4-yl]acetic acid
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