Benzamide, 3-bromo-5-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, tartrate, hydrate (2:2:1)
Basic information
- CAS
98527-06-1- Standard SMILES
CCc1cc(Br)c(OC)c(C(=O)NCC2CCCN2CC)c1O.O=C(O)C(O)C(O)C(=O)O- InChIKey
OOARQPDKIIDZEH-UHFFFAOYSA-N- Molecular formula
- C21H31BrN2O9
- Average molar mass
- 535.4 g/mol
- Monoisotopic mass
- 534.12129
Names & identifiers
- Preferred name
- Benzamide, 3-bromo-5-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, tartrate, hydrate (2:2:1)
- IUPAC
- 5-bromo-3-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide;2,3-dihydroxybutanedioic acid
- English name
- FLA-966(-)
- Molecular formula
- C21H31BrN2O9
- Molecular weight
- 535.38284
Names & synonyms
98527-06-1Benzamide, 3-bromo-5-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-hydroxy-2-methoxy-, tartrate, hydrate (2:2:1)RefChem:321536DTXSID609132082,3-Dihydroxybutanedioic acid--3-bromo-5-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydroxy-2-methoxybenzene-1-carboximidic acid (1/1)FLA-966(-)Reaxys ID: 6263197
Database identifiers
- CAS
98527-06-1- PubChem CID
- 57411
- DTXSID
DTXSID60913208
Properties
Computed structural properties
- Topological polar surface area
- 177 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 530
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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