(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide
Basic information
- CAS
64080-28-0- Standard SMILES
CN1C[C@H](CC(=O)NC(C)(C)C)CC2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
AFLJNKWPPKNVBG-HDUJFRAXSA-N- Molecular formula
- C21H29N3O
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.23106256
Names & identifiers
- Preferred name
- (8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamide
- IUPAC
- 2-[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-N-tert-butylacetamide
Names & synonyms
64080-28-0BRN 0707717(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-acetamideErgoline-8-acetamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-DTXSID80982577N-tert-Butyl-2-(6-methylergolin-8-yl)ethanimidic acidN-tert-Butyl[(10xi)-6-methylergolin-8beta-yl]ethanimidic acid
Database identifiers
- CAS
64080-28-0- PubChem CID
- 3048877
- DTXSID
DTXSID80982577
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…