Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-
Basic information
- CAS
10238-36-5- Standard SMILES
CC(CO)NC(=O)C1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1- InChIKey
WVVSZNPYNCNODU-FWXSHLFISA-N- Molecular formula
- C19H23N3O2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.17902698
Names & identifiers
- Preferred name
- Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-
- IUPAC
- (6aR)-N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
CHEMBL1617719SCHEMBL31757302DTXSID401141031SDCCGMLS-0066632.P001Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-10238-36-5SBI-0051366.P003AB00053472_02BRD-A26387268-050-03-6BRD-A26387268-050-04-4
Database identifiers
- CAS
10238-36-5- PubChem CID
- 6857771
- DTXSID
DTXSID401141031- ChEMBL
CHEMBL1617719
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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