Chemical Compound

8-Br-NAD+ sodium

CAS Registry Number 2022926-16-3
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8-Br-NAD+ sodium chemical structure
Primary Record

8-Br-NAD+ sodium

In stock
2,111 g
Purity
98.5 %
CAS
2022926-16-3

Compound Identifiers & Properties

CAS
2022926-16-3
PubChem CID
168445927
SMILES
C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C5=NC=NC(=C5N=C4Br)N)O)O)O)O)C(=O)N.[Na+]
Canonical SMILES
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](n4c(Br)nc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[Na+]

Names & Synonyms

  • 8-Br-NAD+ sodium
  • 8-bromo NAD+ (sodium salt)
  • orb2276832
  • 2022926-16-3
  • DA-70372
  • PD197915
  • sodium;[[(2R,3S,4R,5R)-5-(6-amino-8-bromopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate