Basic information
- CAS
860177-23-7- Standard SMILES
CCN(CC)C(=O)NC1C=C2c3cccc4[nH]cc(c34)CC2N(C)C1- InChIKey
BKRGVLQUQGGVSM-UHFFFAOYSA-N- Molecular formula
- C20H26N4O
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.21066147
Names & identifiers
- Preferred name
- S-(-)-Lisuride
- IUPAC
- 1,1-diethyl-3-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl)urea
Names & synonyms
S-(-)-Lisuride140387-89-9860177-23-7N,N-Diethyl-N'-(6-methyl-9,10-didehydroergolin-8-yl)ureaCHEMBL57059SCHEMBL14507250DTXSID10860218DA-67335L000349Na(2)-(9,10-Didehydro-6-methylergolin-8-yl)-N,N-diethylurea
Database identifiers
- CAS
860177-23-7- PubChem CID
- 3938
- DTXSID
DTXSID10860218- ChEMBL
CHEMBL57059
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 544
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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