Basic information
- CAS
65919-84-8- Standard SMILES
CCOC(=O)c1c(C)oc2cc(Br)c(O)c(CN3CC[NH+](C)CC3)c12.[Cl-]- InChIKey
SGTLIRULLQAQMD-UHFFFAOYSA-N- Molecular formula
- C18H24BrClN2O4
- Average molar mass
- 447.7 g/mol
- Monoisotopic mass
- 446.0608
Names & identifiers
- Preferred name
- 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester, hydrochloride
- IUPAC
- ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-1-benzofuran-3-carboxylate chloride
Names & synonyms
65919-84-83-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester, hydrochlorideRefChem:276905
Database identifiers
- CAS
65919-84-8- PubChem CID
- 47768
Properties
Computed structural properties
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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