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Substance Name: 7-(6-O-(5-Carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline
RN: 107838-94-8
InChIKey: BBNUVZSDGRQNJJ-SGTLLEGYSA-N

Note

  • Coupled with cancer-specific proteins.

Molecular Formula

  • C19-H24-N4-O7

Molecular Weight

  • 420.4196
 
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Names and Synonyms

Name of Substance

  • 7-(6-O-(5-Carboxypentyl)-3,4-dideoxyhex-3-enopyranosyl-2-ulose)theophylline

Synonyms

  • 6-((5,6-Dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)hexanoic acid (2S-cis)-
  • Cpd-TH

Systematic Name

  • Hexanoic acid, 6-((5,6-dihydro-5-oxo-6-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-9H-purin-9-yl)-2H-pyran-2-yl)methoxy)-, (2S-cis)-

Registry Numbers

CAS Registry Number

  • 107838-94-8

System Generated Number

  • 0107838948

Structure Descriptors

InChI

1S/C19H24N4O7/c1-21-16-15(17(27)22(2)19(21)28)20-11-23(16)18-13(24)8-7-12(30-18)10-29-9-5-3-4-6-14(25)26/h7-8,11-12,18H,3-6,9-10H2,1-2H3,(H,25,26)/t12-,18-/m0/s1

InChIKey

BBNUVZSDGRQNJJ-SGTLLEGYSA-N

Smiles

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