Basic information
- CAS
50504-28-4- Standard SMILES
CCCCNC(=O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O- InChIKey
WABIKZBGLIZFAU-JWYJLEGCSA-N- Molecular formula
- C24H31N3O5
- Average molar mass
- 441.5 g/mol
- Monoisotopic mass
- 441.2263711
Names & identifiers
- Preferred name
- Ergoline-8-carboxamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (6aR,9R,10aR)-N-butyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
Names & synonyms
Ergoline-8-carboxamide, N-(1,1-dimethylethyl)-6-methyl-, (8-beta)-, (Z)-2-butenedioate (1:1)50504-28-4RefChem:1084203(8-beta)-N-(1,1-Dimethylethyl)-6-methylergoline-8-carboxamide (Z)-2-butenedioate (1:1)
Database identifiers
- CAS
50504-28-4- PubChem CID
- 6445853
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 587
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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