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

Modify Date: 2025-08-27 01:18:12

7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline Structure
7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline structure
Common Name 7-(4'-(2-nitroimidazole-1-yl)butyl)theophylline
CAS Number 137046-51-6 Molecular Weight 347.32900
Density 1.55g/cm3 Boiling Point 665.2ºC at 760 mmHg
Molecular Formula C14H17N7O4 Melting Point N/A
MSDS N/A Flash Point 356.1ºC

 Names

Name 1,3-dimethyl-7-[4-(2-nitroimidazol-1-yl)butyl]purine-2,6-dione
Synonym More Synonyms

 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

~94%

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

7-(4'-(2-nitroi...

CAS#:137046-51-6

Literature: Long; Parrick; Hodgkiss Synthesis, 1991 , # 9 p. 709 - 713

~%

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

7-(4'-(2-nitroi...

CAS#:137046-51-6

Literature: Long; Parrick; Hodgkiss Synthesis, 1991 , # 9 p. 709 - 713

 Synonyms

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
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