
CAS Number14271-04-6
Synonyms9,10-Dihydroergocornine methanesulfonate; Hydergine; dihydroergocornine methansulfonic acid; dihydroergocomine; Dihydroergocornine mesylate; UNII-42RX8KPW29; dihydroergocornine methanesulfonate
Molecular FormulaC32H45N5O8S
Molecular Weight659.79300
Purity98%%
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 14271-04-6 |
| Catalog No. | 2A-4182079 |
| Chinese Name | 9,10α-dihydro-12'-hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione monomethanesulphonate |
| Synonyms | 9,10-Dihydroergocornine methanesulfonate; Hydergine; dihydroergocornine methansulfonic acid; dihydroergocomine; Dihydroergocornine mesylate; UNII-42RX8KPW29; dihydroergocornine methanesulfonate |
| Molecular Formula | C32H45N5O8S |
| Molecular Weight | 659.79300 |
| Purity | 98% |
| PubChem ID | 854291 |
| SMILES | CC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3CC4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12.CS(=O)(=O)O |
| InChI | InChI=1S/C31H41N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)/t19-,21-,23-,24+,26+,30-,31+;/m1./s1 |
| InChI Key | UOOWRCRLTSXSAV-GSZJWLEYSA-N |
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