Flavin adenine dinucleotide disodiumProduct ingredient for Flavin adenine dinucleotide
- Name
- Flavin adenine dinucleotide disodium
- Drug Entry
- Flavin adenine dinucleotide
A condensation product of riboflavin and adenosine diphosphate. The coenzyme of various aerobic dehydrogenases, e.g., D-amino acid oxidase and L-amino acid oxidase. (Lehninger, Principles of Biochemistry, 1982, p972) Flavin adenine dinucleotide is approved for use in Japan under the trade name Adeflavin as an ophthalmic treatment for vitamin B2 deficiency.
- Accession Number
- DBSALT000903
- Structure
Structure for Flavin adenine dinucleotide disodium (DBSALT000903)
- Synonyms
- Disodium flavine adenine dinucleotide / FAD sodium salt / Flavin adenine dinucleotide sodium / Flavin adenine dinucleotide sodium salt / Flavine adenine dinucleotide disodium
- UNII
- 67U7UHJ04C
- CAS Number
- 84366-81-4
- Weight
- Average: 831.535
Monoisotopic: 831.13557679 - Chemical Formula
- C27H33N9Na2O15P2
- InChI Key
- XLRHXNIVIZZOON-WFUPGROFSA-N
- InChI
- InChI=1S/C27H33N9O15P2.2Na/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36;;/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43);;/q;2*+1/t14-,15+,16+,19-,20+,21+,26+;;/m0../s1
- IUPAC Name
- disodium {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}[({[(2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-2H,3H,4H,10H-benzo[g]pteridin-10-yl}-2,3,4-trihydroxypentyl]oxy}(hydroxy)phosphoryl)oxy]phosphinic acid
- SMILES
- [Na+].[Na+].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@](O)(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC3=C1N=CN=C3N)C1=NC(=O)NC(=O)C1=N2
- External Links
- Not Available
- Predicted Properties
Property Value Source Water Solubility 4.25 mg/mL ALOGPS logP -0.78 ALOGPS logP -4.8 Chemaxon logS -2.3 ALOGPS pKa (Strongest Acidic) 1.85 Chemaxon pKa (Strongest Basic) 4.89 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 19 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 356.42 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 177.43 m3·mol-1 Chemaxon Polarizability 70.62 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon