7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((bis(1-methylethyl)amino)methyl)-9-methoxy-, hydrochloride
Basic information
- CAS
96616-43-2- Standard SMILES
COc1c2occc2c(CN(C(C)C)C(C)C)c2ccc(=O)oc12.Cl- InChIKey
MSDHWYJAENXCEH-UHFFFAOYSA-N- Molecular formula
- C19H24ClNO4
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.1393859
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((bis(1-methylethyl)amino)methyl)-9-methoxy-, hydrochloride
- IUPAC
- 4-[[di(propan-2-yl)amino]methyl]-9-methoxyfuro[3,2-g]chromen-7-one;hydrochloride
Names & synonyms
7H-Furo(3,2-g)(1)benzopyran-7-one, 4-((bis(1-methylethyl)amino)methyl)-9-methoxy-, hydrochloride96616-43-24-((Bis(1-methylethyl)amino)methyl)-9-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one hydrochlorideCHEMBL267372DTXSID402423664-{[Di(propan-2-yl)amino]methyl}-9-methoxy-7H-furo[3,2-g][1]benzopyran-7-one--hydrogen chloride (1/1)
Database identifiers
- CAS
96616-43-2- PubChem CID
- 150437
- DTXSID
DTXSID40242366- ChEMBL
CHEMBL267372
Properties
Computed structural properties
- Topological polar surface area
- 51.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 482
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Compound notes
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