beta-Nicotinamide adenine dinucleotide disodium salt CAS#: 606-68-8; ChemWhat Code: 81722
Identification
| Product Name | beta-Nicotinamide adenine dinucleotide disodium salt |
| IUPAC Name | disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate |
| Molecular Structure |  |
| CAS Registry Number | 606-68-8 |
| EINECS Number | No data available |
| MDL Number | MFCD00036200 |
| Beilstein Registry Number | No data available |
| Synonyms | β-nicotinamide adenine dinucleotide, disodium salt, reduced form, β-nicotinamide adenine dinucleotide, reduced form, disodium salt, β-nicotinamide adenine dinucleotide disodium salt reduced form, β-nicotinamide adenine dinucleotide phosphate disodium salt, β-nicotinamide adenine dinucleotide, reduced disodium salt, β-nicotinamide adenine dinucleotide reduced disodium salt, β-nicotinamide adenine dinucleotide disodium salt;CAS Number: 606-68-8 |
| Molecular Formula | C21H27N7Na2O14P2 |
| Molecular Weight | 709.40 |
| InChI | InChI=1S/C21H29N7O14P2.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33;;/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25);;/q;2*+1/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1 |
| InChI Key | QRGNQKGQENGQSE-WUEGHLCSSA-L |
| Canonical SMILES | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)O)N.[Na+].[Na+] |
| Patent Information |
| No data available |
Physical Data
| Appearance | White to light yellow powder |
| Solubility | H2O: 50 mg/mL, clear to nearly clear, yellow |
| Description (Association (MCS)) | Solvent (Association (MCS)) | Temperature (Association (MCS)), °C | Partner (Association (MCS)) |
| NMR spectrum of the complex | H2O, D2O | 26.85 | CaCl2 |
| NMR spectrum of the complex | H2O, D2O | 26.85 | poly(styrenesulfonate) |
| NMR spectrum of the complex | solid | poly(aniline)-poly(styrenesulfonate) | |
| NMR spectrum of the complex | solid | poly(aniline)-poly(styrenesulfonate) | |
| NMR spectrum of the complex | various solvent(s) | Al(III) | |
| Further physical properties of the complex | H2O | glycine, ferric perchlorate | |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | aq. phosphate buffer | 24.84 | |
| Spectrum | 31P | various solvent(s) | 23 | 201.5 |
| Spectrum | 1H | various solvent(s) | 23 | 300.1 |
| Spectrum | 13C | various solvent(s) | 23 | 75.5 |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| aq. buffer | 340 | |||
| Spectrum | 340 | 6220 | ||
| Spectrum | aq. phosphate buffer | 260,340 | ||
| Spectrum | aq. phosphate buffer | Remark: pH=7 | ||
| aq. phosphate buffer | Remark: pH=7 | 340 |
| Description (Raman Spectroscopy) | Comment (Raman Spectroscopy) |
| Bands | H2O |
| Spectrum | H2O |
| Raman resonance effect |
Route of Synthesis (ROS)
| Conditions | Yield |
| With palladium 10% on activated carbon; hydrogen In water at 20℃; for 5h; | 91% |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | 290621 |
| Storage | Store at -20 ℃, sealed and protected from light. |
| Shelf Life | 3 years |
| Market Price | USD |
| Use Pattern |
| beta-Nicotinamide adenine dinucleotide disodium salt CAS 606-68-8 Chemical processes/laboratory use |
| component of electrolyte |
| sugar battery |
| system for electricity generation based on hexose or pentose sugars oxidation with use of enzymes |
| fibrosis inhibitor; inflammation inhibitor; acute inflammatory response inhibitor; migration or proliferation of connective tissue cells inhibitor; angiogenesis inhibitor; tissue remodelling inhibitor; reduces extracellular matrix (ECM) production; promotes ECM breakdown; collagen production inhibitor; collagen release inhibitor |
| Excessive scarring |
| Surgical adhesion |
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Approved Manufacturers | |
| Ulcho Biochemical Ltd | http://www.ulcho.com/ |
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