| CAS NO: | 6190-39-2 |
| 中文别名 | Dihydroergotamine mesylate(cas:6190-39-2) |
| 英文别名 | Dihydroergotamine mesylate,6190-39-2 |
| CAS号 | 6190-39-2 |
| SMILES | O[C@@]([C@@](CCC1)([H])N1C2=O)(O[C@](NC([C@@H](CN(C)[C@]3([H])C4)C[C@]3([H])C5=C6C4=CNC6=CC=C5)=O)(C)C7=O)N7[C@H]2CC8=CC=CC=C8.CS(=O)(O)=O |
| Inchi | InChI=1S/C33H37N5O5.CH4O3S/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32;1-5(2,3)4/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39);1H3,(H,2,3,4)/t21-,23-,25-,26+,27+,32-,33+;/m1./s1 |
| InchiKey | ADYPXRFPBQGGAH-UMYZUSPBSA-N |
| 分子式 Formula | C34H41N5O8S |
| 分子量 Molecular Weight | 679.78 |
| 溶解度Solubility | 生物体外In Vitro:DMSO溶解度≥ 34 mg/mL(50.02 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | Solid |
| 储藏条件 Storage conditions | 4℃, protect from light * In solvent : -80℃, 6 months月; -20℃, 1 month月 (protect from light) |
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