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Beta-Nicotinamide adenine dinucleotide phosphate monosodium salt

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Basic information
Standard English name
Cas No. 24292-60-2
Alias sodium (2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-5-((((((((2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)oxidophosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxytetrahydrofuran-3-yl phosphate
Canonical Smiles [Na+].[Na+].NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP([O-])(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]2O)N2C=NC3C2=NC=NC=3N)[C@@H](O)[C@H]1O
MDL No. MFCD00065390
Exact Mass 787.03934
Smiles O=P([O-])(OP(O)(OC[C@@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](N2C=NC3=C(N)N=CN=C32)O1)=O)OC[C@@H](O4)[C@@H](O)[C@@H](O)[C@@H]4[N+]5=CC=CC(C(N)=O)=C5.[Na+].[Na+]
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Character
Storage Condition
Melting Point 175-178 °C
Boiling Point 1.66g/cm3 at 20℃
Flash Point
Chemical Stability
Density
Vapor Pressure
GHS
Signal Word
Dangerous Goods GHS07
Hazard Category H315;H319;H227
Hazard Codes
Prevention Guidelines
Hazard Statements
Safety Instructions P501;P210;P264;P280;P302+P352;P370+P378;P337+P313;P305+P351+P338;P362+P364;P332+P313;P403+P235
Water Solubility
Storage Temp.
Hazardous Decomposition Products
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Useage
Inchi InChI=1S/C21H28N7O17P3.2Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39);;/q;2*+1/p-2/t10-,11-,13-,14-,15-,16-,20-,21-;;/m1../s1
InchiKey WSDDJLMGYRLUKR-WUEGHLCSSA-L
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