Chemical Compound

MLS001332391

CAS Registry Number 53-84-9
MLS001332391 chemical structure
Primary Record

MLS001332391

In stock
7,193 g
Purity
98.2 %
CAS
53-84-9

Compound Identifiers & Properties

CAS
53-84-9
PubChem CID
25162925
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)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
Canonical SMILES
NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)([O-])OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)c1

Names & Synonyms

  • MLS001332391
  • MLS001332392
  • CHEMBL1402028
  • HMS2231I21
  • SMR000875237
  • beta-Nicotinamide adenine dinucleotide hydrate
  • 53-84-9
  • DPN