cabergoline
(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
| Molecular Formula | C26H37N5O2 |
|---|---|
| Molecular Weight | 451.6 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 71.7 A2 |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 451.29474 |
| Heavy Atoms | 33 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 81409-90-7 |
|---|---|
| SMILES | CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C |
| InChIKey | KORNTPPJEAJQIU-KJXAQDMKSA-N |
📖 Product Overview
cabergoline (CAS: 81409-90-7) is a chemical compound with molecular formula C26H37N5O2 and molecular weight 451.6 g/mol. Its IUPAC systematic name is (6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
KORNTPPJEAJQIU-KJXAQDMKSA-N.
SMILES: CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)CC=C.
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