(8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide
Basic information
- CAS
4238-84-0- Standard SMILES
CN(C)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1- InChIKey
FWHSERNVTGTIJE-MLGOLLRUSA-N- Molecular formula
- C18H21N3O
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.1684623
Names & identifiers
- Preferred name
- (8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamide
- IUPAC
- (6aR,9R)-N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
- English name
- 9,10-Didehydro-N,N,6-trimethylergoline-8β-carboxamide
- Molecular formula
- C18H21N3O
- Molecular weight
- 295.38
Names & synonyms
d-Lysergic acid dimethylamide4238-84-0LX5MKR2EXX(8beta)-9,10-Didehydro-N,N,6-trimethylergoline-8-carboxamideRefChem:1050739N,N-Dimethyllysergamidelysergic acid dimethylamideDimethyllysergamideErgoline-8-beta-carboxamide, 9,10-didehydro-N,N,6-trimethyl-Lysergamide, N,N-dimethyl-(6aR,9R)-N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamideDAM-57
Show more names
9,10-Didehydro-N,N,6-trimethylergoline-8β-carboxamideErgoline-8-carboxamide, 9,10-didehydro-N,N,6-trimethyl-, (8β)-
(6aR,9R)-N,N,7-trimethyl-6,6a,8,9-tetrahydro-4H-indolo(4,3-fg)quinoline-9-carboxamideErgotamine Impurity 59,10-Didehydro-N,N,6-trimethylergoline-8-beta-carboxamideUNII-LX5MKR2EXXSCHEMBL2469887DTXSID30962445Ergoline-8-carboxamide, 9,10-didehydro-N,N,6-trimethyl-, (8beta)-,AKOS040751620
Database identifiers
- CAS
4238-84-0- PubChem CID
- 199478
- DTXSID
DTXSID30962445- UNII
- LX5MKR2EXX
- Nikkaji
- J15.151C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 39.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 501
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Hallucinogens
Physicochemical properties
- Boiling point
- 437.06 °C · 437.06°C (rough estimate)
- Density
- 1.119 · 1.1190 (rough estimate)
- refractive index
- 1.5855 · 1.5855 (estimate)
- FDA UNII
- 5 MKR2EXX · LX5MKR2EXX
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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