Basic information
- CAS
41891-94-5- Standard SMILES
O=C(OCCSCCCCCCCCCCSCCOC(=O)c1cccnc1)c1cccnc1- InChIKey
HILPCWYKPQNXHU-UHFFFAOYSA-N- Molecular formula
- C26H36N2O4S2
- Average molar mass
- 504.7 g/mol
- Monoisotopic mass
- 504.21164998
Overview
prodrug of nicotinic acid & tiadenol; structure given in second source
Names & identifiers
- Preferred name
- Niadenate
- IUPAC
- 2-[10-[2-(pyridine-3-carbonyloxy)ethylsulfanyl]decylsulfanyl]ethyl pyridine-3-carboxylate
- English name
- niadenate
- Molecular formula
- C26H36N2O4S2
- Molecular weight
- 504.70504
Names & synonyms
Niadenate82601-22-7RefChem:92770241891-94-5SCHEMBL3078994DTXSID309620413-Pyridinecarboxylic acid, 1,10-decanediylbis(thio-2,1-ethanediyl) ester[(Decane-1,10-diyl)bis(sulfanediyl)ethane-2,1-diyl] dipyridine-3-carboxylateNiadenate (9CI)
Database identifiers
- CAS
41891-94-5、82601-22-7- PubChem CID
- 181712
- DTXSID
DTXSID30962041
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 21
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 493
Chemistry & industry
Applications
DescriptionNiadenate is a prodrug of nicotinic acid and tiadenol.
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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