Ergoline-8-carboxamide, N,6-dimethyl-N-((methylamino)carbonyl)-, (8-beta)-
Basic information
- CAS
81409-87-2- Standard SMILES
CNC(=O)N(C)C(=O)[C@@H]1CC2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1- InChIKey
XIRNJQAQAMGOOZ-QXDOLYAVSA-N- Molecular formula
- C19H24N4O2
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.18992602
Names & identifiers
- Preferred name
- Ergoline-8-carboxamide, N,6-dimethyl-N-((methylamino)carbonyl)-, (8-beta)-
- IUPAC
- (6aR,9R)-N,7-dimethyl-N-(methylcarbamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
BRN 6005841N,6-Dimethyl-N-((methylamino)carbonyl)ergoline-8beta-carboxamide81409-87-2Ergoline-8-carboxamide, N,6-dimethyl-N-((methylamino)carbonyl)-, (8-beta)-RefChem:339691DTXSID901001971N,N'-Dimethyl-N-[(6-methylergolin-8-yl)carbonyl]carbamimidic acidN,N'-Dimethyl-N-{[(10xi)-6-methylergolin-8beta-yl]carbonyl}carbamimidic acid
Database identifiers
- CAS
81409-87-2- PubChem CID
- 3067409
- DTXSID
DTXSID901001971
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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