Basic information
- CAS
107052-56-2- Standard SMILES
CN1C[C@H](CN2CC(=O)NC(=O)C2)C=C2c3cccc4[nH]cc(c34)C[C@H]21- InChIKey
RJCXNCSJGRUWRW-SJKOYZFVSA-N- Molecular formula
- C20H22N4O2
- Average molar mass
- 350.4 g/mol
- Monoisotopic mass
- 350.17427596
Overview
Romergoline is an organonitrogen heterocyclic compound and an organic heterotetracyclic compound.
Names & identifiers
- Preferred name
- Fce 23884
- IUPAC
- 4-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperazine-2,6-dione
- English name
- Romergoline
- Molecular formula
- C20H22N4O2
- Molecular weight
- 350.42
Names & synonyms
FCE-23884Fce 238842,6-Piperazinedione, 4-(((8beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-RefChem:179797RomergolineRomergoline [INN]107052-56-2I4880ZI08RromergolinaUNII-I4880ZI08RDTXSID601478894-(9,10-didehydro-6-methylergolin-8-yl)methylpiperazine-2,6-dione
Show more names
Romergoline 2HCl6-Methyl-8β-[(3,5-dioxopiperazine-1-yl)methyl]ergoline-9-ene4-[(9,10-Didehydro-6-methylergolin-8β-yl)methyl]piperazine-2,6-dione2,6-Piperazinedione, 4-[[(8β)-9,10-didehydro-6-methylergolin-8-yl]methyl]-
orb1980189SCHEMBL1231165CHEMBL2104885CHEBI:2307224-((9,10-didehydro-6-methylergolin-8b-yl)methyl)-2,6-piperazinedione4-((9,10-Didehydro-6-methylergolin-8beta-yl)methyl)-2,6-piperazinedione4-[[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperazine-2,6-dioneNS00124997
Database identifiers
- CAS
107052-56-2
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 632
Physicochemical properties
- Boiling point
- 629.7 · 629.7±55.0 °C(Predicted)
- Density
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- pka
- 11.04 · 11.04±0.20(Predicted)
- FDA UNII
- 4880 ZI08R · I4880ZI08R
Chemistry & industry
Suppliers4 total
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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