7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((bis(2-hydroxyethyl)amino)methyl)-9-methoxy-, hydrochloride
Basic information
- CAS
96616-48-7- Standard SMILES
COc1c2occc2c(CN(CCO)CCO)c2ccc(=O)oc12.Cl- InChIKey
VAMZYPJVBVWJAX-UHFFFAOYSA-N- Molecular formula
- C17H20ClNO6
- Average molar mass
- 369.8 g/mol
- Monoisotopic mass
- 369.0979151
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((bis(2-hydroxyethyl)amino)methyl)-9-methoxy-, hydrochloride
- IUPAC
- 4-[[bis(2-hydroxyethyl)amino]methyl]-9-methoxyfuro[3,2-g]chromen-7-one;hydrochloride
Names & synonyms
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((bis(2-hydroxyethyl)amino)methyl)-9-methoxy-, hydrochloride96616-48-74-((Bis(2-hydroxyethyl)amino)methyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochlorideCHEMBL428674DTXSID202423694-{[Bis(2-hydroxyethyl)amino]methyl}-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one--hydrogen chloride (1/1)
Database identifiers
- CAS
96616-48-7- PubChem CID
- 150443
- DTXSID
DTXSID20242369- ChEMBL
CHEMBL428674
Properties
Computed structural properties
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 464
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Compound notes
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