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β-Nicotinamide adenine dinucleotide sodium salt

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Standard English name
Cas No. 20111-18-6
Alias sodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Canonical Smiles [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](O)[C@@H]2O)N2C=NC3C2=NC=NC=3N)[C@@H](O)[C@H]1O
MDL No. MFCD00148917
Exact Mass 685.09107
Smiles O=P([O-])(OP([O-])(OC[C@@H]1[C@@H](O)[C@@H](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+]
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Dangerous Goods GHS07
Hazard Category H315;H319;H335
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Safety Instructions P280a;P304+P340;P405;P501a;P261;P305+P351+P338
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Inchi InChI=1S/C21H27N7O14P2.Na/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;/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37);/q;+1/p-1/t10-,11-,13-,14-,15-,16-,20-,21-;/m1./s1
InchiKey OGCURMAMSJFXSG-QYZPTAICSA-M
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