Basic information
- CAS
83455-49-6- Standard SMILES
Br.CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]c(Br)c(c34)C[C@H]2N(C)C1- InChIKey
DXVYMWKQERXJJD-LWHGMNCYSA-N- Molecular formula
- C20H26Br2N4O
- Average molar mass
- 498.3 g/mol
- Monoisotopic mass
- 496.04734
Names & identifiers
- Preferred name
- Bromlisuride Hydrobromide
- IUPAC
- 3-[(6aR,9S)-5-bromo-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;hydrobromide
Names & synonyms
Bromlisuride Hydrobromide83455-49-6Bromerguride monohydrobromideDTXSID20868725Indolo[4,3-fg]quinoline, urea deriv.Ergoline, urea derivN'-(2-Bromo-6-methyl-9,10-didehydroergolin-8alpha-yl)-N,N-diethylurea--hydrogen bromide (1/1)
Database identifiers
- CAS
83455-49-6- PubChem CID
- 165367883
- DTXSID
DTXSID20868725
Properties
Computed structural properties
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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