Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)-
Basic information
- CAS
160730-55-2- Standard SMILES
CN1C[C@H](Cn2ccnc2)CC2c3cccc4[nH]c(Br)c(c34)C[C@H]21- InChIKey
NYGLOGCAOZGGCH-ZYFOBHMOSA-N- Molecular formula
- C19H21BrN4
- Average molar mass
- 385.3 g/mol
- Monoisotopic mass
- 384.09496
Names & identifiers
- Preferred name
- Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)-
- IUPAC
- (6aR,9R)-5-bromo-9-(imidazol-1-ylmethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Names & synonyms
Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)-160730-55-22-Bromo-8-(1H-imidazolin-1-ylmethyl)-6-methylergoline (8-beta)-RefChem:339652DTXSID109363812-Bromo-8-[(1H-imidazol-1-yl)methyl]-6-methylergoline(10xi)-2-Bromo-8beta-[(1H-imidazol-1-yl)methyl]-6-methylergoline
Database identifiers
- CAS
160730-55-2- PubChem CID
- 3074680
- DTXSID
DTXSID10936381
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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