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Substance Name: 7-(4'-(2-Nitroimidazole-1-yl)butyl)theophylline
RN: 137046-51-6
InChIKey: WMZHJZFCFREAFU-UHFFFAOYSA-N

Note

  • A hypoxic-cell radiosensitizer.

Molecular Formula

  • C14-H17-N7-O4

Molecular Weight

  • 347.333
 
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Names and Synonyms

Name of Substance

  • 7-(4'-(2-Nitroimidazole-1-yl)butyl)theophylline

Synonym

  • NITP

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(4-(2-nitro-1H-imidazol-1-yl)butyl)-

Registry Numbers

CAS Registry Number

  • 137046-51-6

System Generated Number

  • 0137046516

Structure Descriptors

InChI

1S/C14H17N7O4/c1-17-11-10(12(22)18(2)14(17)23)20(9-16-11)7-4-3-6-19-8-5-15-13(19)21(24)25/h5,8-9H,3-4,6-7H2,1-2H3

InChIKey

WMZHJZFCFREAFU-UHFFFAOYSA-N

Smiles

n1(cnc2n(c(n(c(c12)=O)C)=O)C)CCCCn1ccnc1[N+](=O)[O-]