Basic information
- CAS
79173-10-7- Standard SMILES
CC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C1CCCC1.Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.Cc1c(N(C)CS(=O)(=O)[O-])c(=O)n(-c2ccccc2)n1C.[Br-].[Mg+2]- InChIKey
GYRGJOUVVMKEAH-UHFFFAOYSA-K- Molecular formula
- C46H70BrMgN7O10S2
- Average molar mass
- 1,049.4 g/mol
- Monoisotopic mass
- 1,047.36594
Overview
combination of magnopyrol & unospaston
Names & identifiers
- Preferred name
- Spaslar
- IUPAC
- magnesium;2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium;bis([(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate);bromide
Names & synonyms
Spaslar79173-10-7Ethanaminium, 2-((dicyclopentylacetyl)oxy)-N,N,N-triethyl-, bromide, mixt. with (T-4)-bis(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulfonato)magnesiumRefChem:184544DTXSID901000323magnesium;2-(2,2-dicyclopentylacetyl)oxyethyl-triethylazanium;[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylamino]methanesulfonate;bromide2-[(Dicyclopentylacetyl)oxy]-N,N,N-triethylethan-1-aminium magnesium bromide [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)amino]methanesulfonate (1/1/1/2)
Database identifiers
- CAS
79173-10-7- PubChem CID
- 192199
- DTXSID
DTXSID901000323
Properties
Computed structural properties
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 16
- Heavy atoms
- 67
- Formal charge
- 0
- Complexity
- 861
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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