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Substance Name: 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate
RN: 115678-78-9
InChIKey: XCWZPSOJYVIEHY-QYVSTXNMSA-N

Molecular Formula

  • C14-H18-Br-N5-O12-P2-S

Molecular Weight

  • 622.237
 
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Names and Synonyms

Name of Substance

  • 8-((4-Bromo-2,3-dioxobutyryl)thio)adenosine 5'diphosphate

Synonym

  • 8-Bdb-tadp

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 115678-78-9

System Generated Number

  • 0115678789

Structure Descriptors

InChI

1S/C14H18BrN5O12P2S/c15-1-5(21)6(22)3-35-14-19-8-11(16)17-4-18-12(8)20(14)13-10(24)9(23)7(31-13)2-30-34(28,29)32-33(25,26)27/h4,7,9-10,13,23-24H,1-3H2,(H,28,29)(H2,16,17,18)(H2,25,26,27)/t7-,9-,10-,13-/m1/s1

InChIKey

XCWZPSOJYVIEHY-QYVSTXNMSA-N

Smiles

C([C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1c(nc2c(N)ncnc12)SCC(C(CBr)=O)=O)O[P@@](OP(=O)(O)O)(=O)O