basic_info |
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Product_Name: | NAADP TETRASODIUM SALT |
CAS: | 5502-96-5 |
EnglishSynonyms: | NAADP TETRASODIUM SALT ; BETA-NAADP TETRASODIUM SALT ; NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE TETRASODIUM SALT |
pro_mdlNumber: | MFCD18086908 |
pro_acceptors: | 24 |
pro_donors: | 4 |
pro_smile: | c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)([O-])[O-])O)O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
InChi: | InChI=1S/C21H27N6O18P3.4Na/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32;;;;/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39);;;;/q;4*+1/p-4/t10-,11-,13-,14-,15-,16-,19-,20-;;;;/m1..../s1 |
InChiKey: | InChIKey=NWKIGVGTZIAOCW-MCNGMCCKSA-J |
property |
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Comments: | HAZARD: R 36/37/38 HAZARD: S 26-37-60 UNSPSC: 12000000 |
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