BROMOCRIPTINE MESYLATE
(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid
| Molecular Formula | C33H44BrN5O8S |
|---|---|
| Molecular Weight | 750.7 g/mol |
| Topological Polar Surface Area | 181.0 A2 |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 749.2094 |
| Heavy Atoms | 48 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 22260-51-1 |
|---|---|
| SMILES | CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O |
| InChIKey | NOJMTMIRQRDZMT-GSPXQYRGSA-N |
📖 Product Overview
BROMOCRIPTINE MESYLATE (CAS: 22260-51-1) is a chemical compound with molecular formula C33H44BrN5O8S and molecular weight 750.7 g/mol. Its IUPAC systematic name is (6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;methanesulfonic acid.
NOJMTMIRQRDZMT-GSPXQYRGSA-N.
SMILES: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O.
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