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Basic information
- CAS
7240-57-5- Standard SMILES
CCNC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1- InChIKey
OLUVTYNEBIODME-CXAGYDPISA-N- Molecular formula
- C19H23N3O
- Average molar mass
- 309.413 g/mol
- Monoisotopic mass
- 309.18411236
Names & identifiers
- Preferred name
- N-Ethyl-1,6-dimethyl-9,10-didehydroergoline-8-carboximidic acid
- IUPAC
- N-Ethyl-1,6-dimethyl-9,10-didehydroergoline-8beta-carboximidic acid
- English name
- 9,10-Didehydro-1,6-dimethyl-N-ethylergoline-8β-carboxamide
- Molecular formula
- C19H23N3O
- Molecular weight
- 309.41
Names & synonyms
MLA-749,10-Didehydro-1,6-dimethyl-N-ethylergoline-8β-carboxamideErgoline-8-carboxamide, 9,10-didehydro-N-ethyl-1,6-dimethyl-, (8β)- (9CI)
Database identifiers
- CAS
7240-57-5- PubChem CID
- 201993
- DTXSID
DTXSID70993192- Nikkaji
- J42.978C
Properties
Physicochemical properties
- Melting point
- 185 · 185-186 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 449.68 °C · 449.68°C (rough estimate)
- Density
- 1.1106 · 1.1106 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
- pka
- 15.45 · 15.45±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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