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Substance Name: 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate
RN: 90269-32-2
InChIKey: AJYQMCHCOGIXMR-IDTAVKCVSA-N

Molecular Formula

  • C14-H17-Br-N4-O12-P2-S

Molecular Weight

  • 607.2223
 
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Names and Synonyms

Name of Substance

  • 6-((4-Bromo-2,3-dioxobutyl)thio)-6-deaminoadenosine 5'-diphosphate

Synonyms

  • 6-(4-Bromo-2,3-dioxobutyl)thioadenosine 5'-diphosphate
  • Bdb-tadp
  • BDTD

Systematic Name

  • Diphosphoric acid, 5'-ester with 1-bromo-4-((9-beta-D-ribofuranosyl-9H-purin-6-yl)thio)-2,3-butanedione

Registry Numbers

CAS Registry Number

  • 90269-32-2

System Generated Number

  • 0090269322

Structure Descriptors

InChI

1S/C14H17BrN4O12P2S/c15-1-6(20)7(21)3-34-13-9-12(16-4-17-13)19(5-18-9)14-11(23)10(22)8(30-14)2-29-33(27,28)31-32(24,25)26/h4-5,8,10-11,14,22-23H,1-3H2,(H,27,28)(H2,24,25,26)/t8-,10-,11-,14-/m1/s1

InChIKey

AJYQMCHCOGIXMR-IDTAVKCVSA-N

Smiles

c1nc2c(c(n1)SCC(=O)C(=O)CBr)ncn2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O