2,3-Dihydroxybutanedioic acid--2-(6-propylergolin-8-yl)ethanimidic acid (1/2)
bis(2-[(6aR,9S)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide);(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: (8-beta)-6-Propylergoline-8-acetamide tartrate (2:1)|Ergoline-8-acetamide, 6-propyl-, (8-beta)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (2:1)|2,3-Dihydroxybutanedioic acid--2-(6-propylergolin-8-yl)ethanimidic acid (1/2)|(2R,3R)-2,3-Dihydroxybutanedioic acid--[(10xi)-6-propylergolin-8beta-yl]ethanimidic acid (1/2)
| Molecular Formula | C42H56N6O8 |
|---|---|
| Molecular Weight | 772.41595 g/mol |
| LogP | 3.4444 |
| Topological Polar Surface Area | 239.3 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 772.41595 |
| Monoisotopic Mass | 772.41595 |
| Heavy Atoms | 56 |
| Complexity | 1899.3158 |
Chemical Identifiers
| CAS Number | 67658-46-2 |
|---|---|
| SMILES | CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(=O)N.CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(=O)N.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
Product Overview
2,3-Dihydroxybutanedioic acid--2-(6-propylergolin-8-yl)ethanimidic acid (1/2) (CAS 67658-46-2), with molecular formula C42H56N6O8 and molecular weight 772.41595 g/mol. IUPAC: bis(2-[(6aR,9S)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]acetamide);(2R,3R)-2,3-dihydroxybutanedioic acid.