| CAS NO: | 676251-22-2 |
| 中文别名 | sodium ((2S,3aR,4R,6R,6aR)-6-(6-(3-ethylureido)-9H-purin-9-yl)-2-((E)-styryl)tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methyl phosphate |
| 英文别名 | INS50589; INS-50589; INS 50589; Regrelor; Regrelor sodium; Regrelor disodium. |
| CAS号 | 676251-22-2 |
| SMILES | O=P([O-])(OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C(N=CN=C32)NC(NCC)=O)O1)O4)O[C@@H]4/C=C/C5=CC=CC=C5)[O-].[Na+].[Na+] |
| Inchi | InChI=1S/C22H25N6O8P.2Na/c1-2-23-22(29)27-19-16-20(25-11-24-19)28(12-26-16)21-18-17(14(34-21)10-33-37(30,31)32)35-15(36-18)9-8-13-6-4-3-5-7-13;;/h3-9,11-12,14-15,17-18,21H,2,10H2,1H3,(H2,30,31,32)(H2,23,24,25,27,29);;/q;2*+1/p-2/b9-8+;;/t14-,15+,17-,18-,21-;;/m1../s1 |
| InchiKey | MKQKPLQMNCXTJE-VEZQGTPESA-L |
| 分子式 Formula | C22H23N6Na2O8P |
| 分子量 Molecular Weight | 576.4133 |
| 性状 | Solid powder |
| 储藏条件 Storage conditions | Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years). |
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