Ergoline, 8,9-didehydro-8-methyl-
Basic information
- CAS
34263-09-7- Standard SMILES
CC1=C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2NC1- InChIKey
KNXQMYAIQXBYHZ-TZMCWYRMSA-N- Molecular formula
- C15H16N2
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.13134852
Names & identifiers
- Preferred name
- Ergoline, 8,9-didehydro-8-methyl-
- IUPAC
- (6aR,10aR)-9-methyl-4,6,6a,7,8,10a-hexahydroindolo[4,3-fg]quinoline
Names & synonyms
34263-09-76-Noragroclavin6-NoragroclavineN-DemthylagroclavineErgoline, 8,9-didehydro-8-methyl-SCHEMBL98494678-Methyl-8,9-didehydroergolineDTXSID10955815
Database identifiers
- CAS
34263-09-7- PubChem CID
- 182175
- DTXSID
DTXSID10955815
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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