Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-((hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleate
Basic information
- CAS
39890-29-4- Standard SMILES
O=C(CN1CCN(CC2COC3(O2)c2ccccc2COc2ccccc23)CC1)N1CCCCCC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
MWSANJQUMHNWSS-LVEZLNDCSA-N- Molecular formula
- C37H45N3O12
- Average molar mass
- 723.8 g/mol
- Monoisotopic mass
- 723.30032388
Names & identifiers
- Preferred name
- Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-((hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleate
- IUPAC
- 1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone;bis((E)-but-2-enedioic acid)
Names & synonyms
39890-29-4Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-((hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleateRefChem:1098977
Database identifiers
- CAS
39890-29-4- PubChem CID
- 6445692
Properties
Computed structural properties
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 855
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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