Methanone, ((8beta)-9,10-didehydro-6-methylergolin-8-yl)-4-morholinyl-
Basic information
- CAS
4314-63-0- Standard SMILES
CN1C[C@H](C(=O)N2CCOCC2)C=C2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
OTQWCDNEJVKXKG-RDTXWAMCSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Names & identifiers
- Preferred name
- Methanone, ((8beta)-9,10-didehydro-6-methylergolin-8-yl)-4-morholinyl-
- IUPAC
- [(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanone
- English name
- 9,10-Didehydro-6-methylergoline-8β-carboxylic acid morpholino ester
- Molecular formula
- C20H23N3O2
- Molecular weight
- 337.42
Names & synonyms
4314-63-0RefChem:1089107Methanone, ((8beta)-9,10-didehydro-6-methylergolin-8-yl)-4-morholinyl-Lysergic acid morpholideD-Lysergic acid morpholide4-LysergoylmorpholineN-MorpholinyllysergamideLSM-7754-Lysergic acid morpholide168Y0PXM7S[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-morpholin-4-ylmethanoneLSM-775 (maleate) (solution)
Show more names
9,10-Didehydro-6-methylergoline-8β-carboxylic acid morpholino esterMethanone, [(8β)-9,10-didehydro-6-methylergolin-8-yl]-4-morholinyl-Morpholine, 4-[[(8β)-9,10-didehydro-6-methylergolin-8-yl]carbonyl]- (9CI)
4-Lysergic acid morpholineMorpholine, 4-lysergoyl-UNII-168Y0PXM7S9,10-Didehydro-6-methylergoline-8beta-carboxylic acid morpholino esterSCHEMBL20970864DTXSID50195718Ergoline-8-beta-carboxylic acid, 9,10-didehydro-6-methyl-, morpholideMorpholine, 4-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)carbonyl)-
Database identifiers
- CAS
4314-63-0- PubChem CID
- 199507
- DTXSID
DTXSID50195718- UNII
- 168Y0PXM7S
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 48.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Experimental & physicochemical properties
DrugsDEA NFLIS-Drug Category -> Hallucinogens
Physicochemical properties
- Boiling point
- 473.72 °C · 473.72°C (rough estimate)
- Density
- 1.1676 · 1.1676 (rough estimate)
- refractive index
- 1.62 · 1.6200 (estimate)
- Melting point
- 116 °C · 116 °C(Solv: benzene (71-43-2))
- pka
- 17.26 · 17.26±0.40(Predicted)
- FDA UNII
- 168 Y0PXM7S · 168Y0PXM7S
- Toxicity
- 50 intravenous · LD50 intravenous in rabbit: 700ug/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 intravenous in rabbit: 700ug/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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