CAS RN 4090-29-3
CAS RN 4090-29-3
IUPAC Name:
1-[(2R,3R,4S,5R)-5-[({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxy-3-oxidooxolan-2-yl]-3-carbamothioyl-1λ⁵-pyridin-1-ylium
Synonyms:
1-[(2R,3R,4S,5R)-5-{[({[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]methyl}-4-hydroxy-3-oxidooxolan-2-yl]-3-carbamothioyl-1λ⁵-pyridin-1-ylium
Molecular Weight (g/mol):
679.49
Molecular Formula:
C21H27N7O13P2S
InChi Key:
CXONXVMMINSQBV-NNYOXOHSSA-N
SMILES:
NC(=S)C1=CC=C[N+](=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1[O-]
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Thionicotinamide Adenine Dinucleotide oxidized form 95.0+%, TCI America™
CAS: 4090-29-3 Molecular Formula: C21H27N7O13P2S Molecular Weight (g/mol): 679.491 MDL Number: MFCD00079609 InChI Key: UQYPZLRUJKCREN-WWRWIPRPSA-N Synonym: Thionicotinamide-DPN PubChem CID: 91972082 IUPAC Name: [[(2R,4S,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,4S,5R)-5-(3-carbamothioylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)O)O)O)O)C(=S)N