Basic information
- CAS
98526-94-4- Standard SMILES
CC[NH+]1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC.CS(=O)(=O)[O-]- InChIKey
DWAVWJJNKXRXSF-FVGYRXGTSA-N- Molecular formula
- C16H24Br2N2O6S
- Average molar mass
- 532.2 g/mol
- Monoisotopic mass
- 529.97218
Names & identifiers
- Preferred name
- benzamide, 3,5-dibromo-n-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (s)-, monomethanesulfonate (salt)
- IUPAC
- 3,5-dibromo-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-hydroxy-6-methoxybenzamide;methanesulfonate
Names & synonyms
98526-94-4Benzamide, 3,5-dibromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)-, monomethanesulfonate (salt)DTXSID60243633RefChem:321508DTXCID90166124(2S)-2-[(3,5-Dibromo-2-hydroxy-6-methoxybenzamido)methyl]-1-ethylpyrrolidin-1-ium methanesulfonate
Database identifiers
- CAS
98526-94-4- PubChem CID
- 57409
- DTXSID
DTXSID60243633
Properties
Computed structural properties
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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