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Substance Name: 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate
RN: 115678-79-0
InChIKey: HHFKDJBMNLUGCH-QYVSTXNMSA-N

Molecular Formula

  • C14-H19-Br-N5-O15-P3-S

Molecular Weight

  • 702.2161
 
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Names and Synonyms

Name of Substance

  • 8-((4-Bromo-2,3-dioxobutyl)thio)adenosine 5'-triphosphate

Synonym

  • 8-Bdb-tatp

Systematic Name

  • Adenosine 5'-(tetrahydrogentriphosphate), 8-((4-bromo-2,3-dioxobutyl)thio)-

Registry Numbers

CAS Registry Number

  • 115678-79-0

System Generated Number

  • 0115678790

Structure Descriptors

InChI

1S/C14H19BrN5O15P3S/c15-1-5(21)6(22)3-39-14-19-8-11(16)17-4-18-12(8)20(14)13-10(24)9(23)7(33-13)2-32-37(28,29)35-38(30,31)34-36(25,26)27/h4,7,9-10,13,23-24H,1-3H2,(H,28,29)(H,30,31)(H2,16,17,18)(H2,25,26,27)/t7-,9-,10-,13-/m1/s1

InChIKey

HHFKDJBMNLUGCH-QYVSTXNMSA-N

Smiles

c1nc(c2c(n1)n(c(n2)SCC(=O)C(=O)CBr)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N