Nicotinamide adenine dinucleotide

Base Information

• Chemical Name: Nicotinamide adenine dinucleotide
• CAS No.: 76961-04-1
• Deprecated CAS: 1083039-67-1,1354693-98-3,159929-29-0,30429-30-2
• Molecular Formula: C₂₁H₂₆N₇O₁₄P₂
• Molecular Weight: 662.423
• European Community (EC) Number: 200-184-4
• DSSTox Substance ID: DTXSID201016357
• Wikidata: Q28529711
• Wikipedia: Nicotinamide_adenine_dinucleotide
• Mol file: 76961-04-1.mol

Synonyms:Adenine Dinucleotide, Dihydronicotinamide;Coenzyme I;Dihydronicotinamide Adenine Dinucleotide;Dinucleotide, Dihydronicotinamide Adenine;Dinucleotide, Nicotinamide-Adenine;Diphosphopyridine Nucleotide;DPN;NAD;NADH;Nadide;Nicotinamide Adenine Dinucleotide;Nicotinamide-Adenine Dinucleotide;Nucleotide, Diphosphopyridine

Chemical Property of Nicotinamide adenine dinucleotide

Chemical Property:

• XLogP3: -6.1
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 11
• Exact Mass: 662.10129752
• Heavy Atom Count: 44
• Complexity: 1110

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N
• Isomeric 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
• Recent ClinicalTrials: Small Sample，Unicentric，Randomized, Controlled Clinical Study of Coenzyme I for Injection in the Treatment of Sudden Sensorineural Hearing Loss