| CAS NO: | 52205-73-9 |
| 英文别名 | Estramustine Disodium Phosphate |
| CAS号 | 52205-73-9 |
| SMILES | C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2OP(=O)([O-])[O-])OC(=O)N(CCCl)CCCl.[Na+].[Na+] |
| Inchi | InChI=1S/C23H32Cl2NO6P.2Na/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30;;/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30);;/q;2*+1/p-2/t18-,19-,20+,21+,23+;;/m1../s1 |
| InchiKey | IIUMCNJTGSMNRO-VVSKJQCTSA-L |
| 分子式 Formula | C23H30Cl2NNa2O6P |
| 分子量 Molecular Weight | 564.35 |
| 熔点 Melting point | >204℃ (dec.) |
| 溶解度Solubility | 生物体外In Vitro:H2O : 62.5 mg/mL(110.75 mM;Need ultrasonic)H2O : 31.25 mg/mL(55.37 mM;Need ultrasonic)DMSO溶解度5 mg/mL(8.86 mM;Need ultrasonic) |
| 性状 | 白色至灰白色固体粉末 |
| 储藏条件 Storage conditions | Hygroscopic, -20℃ Freezer, Under inert atmosphere |
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