Basic information
- CAS
121532-44-3- Standard SMILES
C[N+]1([O-])C[C@H](CN2CC(=O)NC2=O)CC2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
HTEWFCFFJOHVFC-PWOKGJIMSA-N- Molecular formula
- C19H22N4O3
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.16919058
Overview
structure given in first source; a prodrug of FCE-22716
Names & identifiers
- Preferred name
- Fce 24220
- IUPAC
- 1-[[(6aR,9S)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]imidazolidine-2,4-dione
Names & synonyms
Fce 24220121532-44-3FCE-24220RefChem:1400381-((6-Methylergolin-8-beta-yl)methyl)-2,4-imidazolidinedione-N6-oxide(8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4-imidazolidinedione N6-oxideDTXSID309238542,4-Imidazolidinedione, 1-((6-methylergolin-8-yl)methyl)-, N6-oxide, (8-beta)-1-[[(6Ar,9S)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]imidazolidine-2,4-dione4-Hydroxy-1-[(7-methyl-7-oxo-4,6,6a,7,8,9,10,10a-octahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl)methyl]-1,5-dihydro-2H-imidazol-2-one4-Hydroxy-1-{[(6aR,9S)-7-methyl-7-oxo-4,6,6a,7,8,9,10,10a-octahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl]methyl}-1,5-dihydro-2H-imidazol-2-one
Database identifiers
- CAS
121532-44-3- PubChem CID
- 129455
- DTXSID
DTXSID30923854
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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