Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(butylamino)methyl-, maleate

Substructure search Find similar structures

Basic information

CAS: 52740-45-1
Standard SMILES: CCCCNCC1COC2(O1)c1ccccc1COc1ccccc12.O=C(O)/C=C\C(=O)O
InChIKey: QAGGLICGAXHMIZ-BTJKTKAUSA-N
Molecular formula: C25H29NO7
Average molar mass: 455.5 g/mol
Monoisotopic mass: 455.19440226

Names & identifiers

Preferred name: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(butylamino)methyl-, maleate
IUPAC: (Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)butan-1-amine

Names & synonyms

Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(butylamino)methyl-, maleate52740-45-1RefChem:10989846,11-Dihydro-4'-(butylamino)methylspiro(dibenz(b,e)oxepin-11,2'-(1',3')-dioxolane) maleate

Database identifiers

CAS: 52740-45-1
PubChem CID: 6437009

Properties

Computed structural properties

Topological polar surface area: 114 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 33
Formal charge: 0
Complexity: 550

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…