Basic information
- CAS
96616-51-2- Standard SMILES
COc1c2occc2c(CN2CCN(C)CC2)c2ccc(=O)oc12.Cl- InChIKey
ZGLBJNQPVMVUIX-UHFFFAOYSA-N- Molecular formula
- C18H21ClN2O4
- Average molar mass
- 364.8 g/mol
- Monoisotopic mass
- 364.1189848
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-4-((4-methyl-1-piperazinyl)methyl)-, monohydrochloride
- IUPAC
- 9-methoxy-4-[(4-methylpiperazin-1-yl)methyl]furo[3,2-g]chromen-7-one;hydrochloride
Names & synonyms
7H-Furo(3,2-g)(1)benzopyran-7-one, 9-methoxy-4-((4-methyl-1-piperazinyl)methyl)-, monohydrochloride96616-51-2CHEMBL65899-Methoxy-4-((4-methyl-1-piperazinyl)methyl)-7H-furo(3,2-g)(1)benzopyran-7-one monohydrochlorideDTXSID902423719-Methoxy-4-[(4-methylpiperazin-1-yl)methyl]-7H-furo[3,2-g][1]benzopyran-7-one--hydrogen chloride (1/1)
Database identifiers
- CAS
96616-51-2- PubChem CID
- 150447
- DTXSID
DTXSID90242371- ChEMBL
CHEMBL6589
Properties
Computed structural properties
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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