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Substance Name: 4-Fluorobenzoyladenosine 5'-triphosphate
RN: 58083-99-1
InChIKey: SWZZGDJMGIOGFU-CNEMSGBDSA-N

Note

  • Adenylate kinase antagonist.

Molecular Weight

  • 629.278
 
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Names and Synonyms

Name of Substance

  • 4-Fluorobenzoyladenosine 5'-triphosphate

Synonym

  • para-Fluorobenzoyladenosine 5'-triphosphate

Systematic Name

  • Adenosine 5'-(tetrahydrogen triphosphate), N-(4-fluorobenzoyl)-

Registry Numbers

CAS Registry Number

  • 58083-99-1

System Generated Number

  • 0058083991

Structure Descriptors

InChI

1S/C17H19FN5O14P3/c18-9-3-1-8(2-4-9)16(26)22-14-11-15(20-6-19-14)23(7-21-11)17-13(25)12(24)10(35-17)5-34-39(30,31)37-40(32,33)36-38(27,28)29/h1-4,6-7,10,12-13,17,24-25H,5H2,(H,30,31)(H,32,33)(H2,27,28,29)(H,19,20,22,26)/t10-,12-,13-,17-/m1/s1

InChIKey

SWZZGDJMGIOGFU-CNEMSGBDSA-N

Smiles

C([C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(NC(c3ccc(cc3)F)=O)ncnc12)O[P@@](O[P@@](OP(=O)(O)O)(=O)O)(=O)O