Basic information
- Standard SMILES
COc1ccc(OC)c2c1CCOC2CN1CCN(C)CC1.O=C(O)/C=C/C(=O)O- InChIKey
BKZXBPBDSFNKAK-WLHGVMLRSA-N- Molecular formula
- C21H30N2O7
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.2053013
Names & identifiers
- Preferred name
- 5,8-Dimethoxy-1-(4-methylpiperazinyl)methylisochroman fumarate
- IUPAC
- (E)-but-2-enedioic acid;1-[(5,8-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-methylpiperazine
Names & synonyms
SCHEMBL11624768BKZXBPBDSFNKAK-WLHGVMLRSA-N5,8-dimethoxy-1-(4-methylpiperazinyl)methylisochroman fumarate
Database identifiers
- PubChem CID
- 12828487
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 466
Related reactions
1 records
Compound notes
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