Epicriptine
(6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
| Molecular Formula | C32H43N5O5 |
|---|---|
| Molecular Weight | 577.7 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 A2 |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 577.3264 |
| Heavy Atoms | 42 |
| Complexity | 1130.0 |
Chemical Identifiers
| CAS Number | 88660-47-3 |
|---|---|
| SMILES | CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O |
| InChIKey | SBFXHXZNBNFPHV-PXXBSISHSA-N |
📖 Product Overview
Epicriptine (CAS: 88660-47-3) is a chemical compound with molecular formula C32H43N5O5 and molecular weight 577.7 g/mol. Its IUPAC systematic name is (6aR,9R,10aR)-N-[(1S,2S,4R,7S)-7-[(2R)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
SBFXHXZNBNFPHV-PXXBSISHSA-N.
SMILES: CCC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O.
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