Basic information
- CAS
50504-27-3- Standard SMILES
CCCCNC(=O)C1CC2c3cccc4[nH]cc(c34)CC2N(C)C1- InChIKey
YWYWNPNJIAXPHW-UHFFFAOYSA-N- Molecular formula
- C20H27N3O
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.21541249
Names & identifiers
- Preferred name
- Ergoline-8-carboxamide, N-butyl-6-methyl-, (8-beta)-
- IUPAC
- N-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Names & synonyms
50504-27-3Ergoline-8-carboxamide, N-butyl-6-methyl-, (8-beta)-RefChem:1084204(8-beta)-N-Butyl-6-methylergoline-8-carboxamideBRN 0764407NSC169484DTXSID00964719NSC 169484NSC-169484N-Butyl-6-methylergoline-8-carboximidic acid
Database identifiers
- CAS
50504-27-3- PubChem CID
- 99050
- DTXSID
DTXSID00964719
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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