2H-1-Benzopyran-2-one, 8-((cyclohexyl(2-hydroxyethyl)amino)methyl)-7-hydroxy-4-methyl-, hydrochloride
Basic information
- CAS
57028-61-2- Standard SMILES
Cc1cc(=O)oc2c(CN(CCO)C3CCCCC3)c(O)ccc12.Cl- InChIKey
XHEGWEYGTOAJGJ-UHFFFAOYSA-N- Molecular formula
- C19H26ClNO4
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.155036
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 8-((cyclohexyl(2-hydroxyethyl)amino)methyl)-7-hydroxy-4-methyl-, hydrochloride
- IUPAC
- 8-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride
Names & synonyms
2H-1-Benzopyran-2-one, 8-((cyclohexyl(2-hydroxyethyl)amino)methyl)-7-hydroxy-4-methyl-, hydrochloride8-((Cyclohexyl(2-hydroxyethyl)amino)methyl)-7-hydroxy-4-methyl-2H-1-benzopyran-2-one HCl57028-61-2DTXSID80205637RefChem:268261DTXCID101281288-{[Cyclohexyl(2-hydroxyethyl)amino]methyl}-7-hydroxy-4-methyl-2H-1-benzopyran-2-one--hydrogen chloride (1/1)
Database identifiers
- CAS
57028-61-2- PubChem CID
- 5745477
- DTXSID
DTXSID80205637
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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