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Substance Name: 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline
RN: 142270-03-9
InChIKey: XGHISNSPFYANSE-HTQZYQBOSA-N

Molecular Formula

  • C13-H13-F-N4-O5

Molecular Weight

  • 324.2667
 
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Names and Synonyms

Name of Substance

  • 7-(3-Deoxy-3-fluorohex-2-enopyranosyl-4-ulose)theophylline

Synonyms

  • 7-(3-Deoxy-3-fluoro-beta-D-glycero-hex-2-enopyranosyl-4-ulose)theophylline
  • Dfh-theophylline

Systematic Name

  • 1H-Purine-2,6-dione, 9-(4-fluoro-5,6-dihydro-6-(hydroxymethyl)-5-oxo-2H-pyran-2-yl)-3,9-dihydro-1,3-dimethyl-, (2R-cis)-

Registry Numbers

CAS Registry Number

  • 142270-03-9

System Generated Number

  • 0142270039

Structure Descriptors

InChI

1S/C13H13FN4O5/c1-16-11-9(12(21)17(2)13(16)22)15-5-18(11)8-3-6(14)10(20)7(4-19)23-8/h3,5,7-8,19H,4H2,1-2H3/t7-,8-/m1/s1

InChIKey

XGHISNSPFYANSE-HTQZYQBOSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)ncn2[C@H]3C=C(C(=O)[C@H](O3)CO)F