Basic information
- CAS
25558-81-0- Standard SMILES
Cc1ccc2c(c1)C(N1CCN(C)CC1)Cc1ccccc1O2.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
HUNOCUFABSFSJU-LVEZLNDCSA-N- Molecular formula
- C28H32N2O9
- Average molar mass
- 540.6 g/mol
- Monoisotopic mass
- 540.2107806
Names & identifiers
- Preferred name
- Piperazine, 1-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methyl-, maleate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);1-methyl-4-(3-methyl-5,6-dihydrobenzo[b][1]benzoxepin-5-yl)piperazine
Names & synonyms
Piperazine, 1-(10,11-dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methyl-, maleate (1:2)25558-81-0RefChem:10957441-(10,11-Dihydro-8-methyldibenz(b,f)oxepin-10-yl)-4-methylpiperazine maleate (1:2)8-Methyl-10-(4-methylpiperazino)-10,11-dihydrodibenz(b,f)oxepin bis(hydrogen maleate)
Database identifiers
- CAS
25558-81-0- PubChem CID
- 6445232
Properties
Computed structural properties
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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