benzamide, 3,5-diethyl-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (s)-, monomethanesulfonate (salt)
Basic information
- CAS
89020-43-9- Standard SMILES
CCc1cc(CC)c(OC)c(C(=O)NC[C@@H]2CCC[NH+]2CC)c1O.CS(=O)(=O)[O-]- InChIKey
KLEHVJPBTVMFOC-RSAXXLAASA-N- Molecular formula
- C20H34N2O6S
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.21375798
Names & identifiers
- Preferred name
- benzamide, 3,5-diethyl-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (s)-, monomethanesulfonate (salt)
- IUPAC
- 3,5-diethyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide;methanesulfonate
- English name
- FLA-988 Methanesulfonate
- Molecular formula
- C20H34N2O6S
- Molecular weight
- 430.55876
Names & synonyms
FLA 988 methanesulfonate89020-43-9Benzamide, 3,5-diethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-, monomethanesulfonate (salt)DTXSID70237482RefChem:321512DTXCID70159973(2S)-2-[(3,5-Diethyl-2-hydroxy-6-methoxybenzamido)methyl]-1-ethylpyrrolidin-1-ium methanesulfonateFLA-988 Methanesulfonate
Database identifiers
- CAS
89020-43-9- PubChem CID
- 55900
- DTXSID
DTXSID70237482
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 483
Physicochemical properties
- Comptox DTXSID
- 70237482 · DTXSID70237482
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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