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Substance Name: 6-(6-(4-Bromo-2,3-dioxobutyl)thio)deaminoadenosine 5'-monophosphate
RN: 90269-31-1
InChIKey: LNZMNGVFZNPYKL-PYUPQCDSSA-N

Molecular Formula

  • C14-H16-Br-N4-O9-P-S

Molecular Weight

  • 527.2434
 
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Names and Synonyms

Name of Substance

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

Synonyms

  • 1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio)-2,3-butanedione
  • 1-Bromo-4-((9-(5-O-phosphono-beta-D-tribofuranosyl)-9H-purin-6-yl)thio)-2,3-butanedione
  • 5'-Inosinic acid, 6-S-(4-bromo-2,3-dioxobutyl)-6-thio-
  • Bdb-tamp

Systematic Names

  • 2,3-Butanedione, 1-bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio)-
  • 2,3-Butanedione, 1-bromo-4-((9-(5-O-phosphono-beta-D-tribofuranosyl)-9H-purin-6-yl)thio)-

Registry Numbers

CAS Registry Number

  • 90269-31-1

System Generated Number

  • 0090269311

Structure Descriptors

InChI

1S/C14H16BrN4O9PS/c15-1-6(20)7(21)3-30-13-9-12(16-4-17-13)19(5-18-9)14-11(23)10(22)8(28-14)2-27-29(24,25)26/h4-5,8,10-11,14,22-23H,1-3H2,(H2,24,25,26)/t8-,10-,11-,14+/m1/s1

InChIKey

LNZMNGVFZNPYKL-PYUPQCDSSA-N

Smiles

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