Chemical Compound

Thionicotinamide nad

CAS Registry Number 4090-29-3
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Thionicotinamide nad chemical structure
Primary Record

Thionicotinamide nad

In stock
3,940 g
Purity
98.7 %
CAS
4090-29-3

Compound Identifiers & Properties

CAS
4090-29-3
PubChem CID
3081387
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(=S)N
Canonical SMILES
NC(=S)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

  • Thionicotinamide nad
  • Thionicotinamide-DPN
  • Thionicotinamide-NAD
  • AC1MIWTU
  • C21H27N7O13P2S
  • EINECS 223-828-6
  • Thionicotinamide adenine dinucleotide
  • ZINC85544876
  • CID3081387
  • C21-H27-N7-O13-P2-S
  • THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE
  • NS00073022
  • [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
  • 4090-29-3
  • Adenosine 5'-(trihydrogen diphosphate), 5'.fwdarw.5'-ester with 3-(aminothioxomethyl)-1-.beta.-D-ribofuranosylpyridinium hydroxide, inner salt
  • Adenosine 5'-(trihydrogen diphosphate), 5'5'-ester with 3-(aminothioxomethyl)-1-beta-D-ribofuranosylpyridinium--ate
  • SND