Basic information
- CAS
131523-96-1- Standard SMILES
CN(C)CC/C=C1/c2ccccc2COc2ccc(O)cc21- InChIKey
GRQPGTWGEQWMMM-IUXPMGMMSA-N- Molecular formula
- C19H21NO2
- Average molar mass
- 295.4 g/mol
- Monoisotopic mass
- 295.15722891
Overview
(E)-2-hydroxydoxepin is a dibenzooxazepine.
Names & identifiers
- Preferred name
- (Z)-2-Hydroxy Doxepin
- IUPAC
- (11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol
Names & synonyms
(E)-2-hydroxydoxepin131523-96-1(Z)-2-Hydroxy Doxepin(11Z)-11-[3-(Dimethylamino)propylidene]-6,11-dihydrodibenz[b,e]oxepin-2-ol(Z)-2-HydroxydoxepinSCHEMBL2213033CHEBI:168802GRQPGTWGEQWMMM-IUXPMGMMSA-NDTXSID601344722(11Z)-11-[3-(dimethylamino)propylidene]-6H-benzo[c][1]benzoxepin-2-ol(Z)-2-Hydroxy-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo [b,e] oxepin(Z)-2-Hydroxy-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo [b,e]oxepin
Show more names
(Z)-2-Hydroxy-11-(3-dimethylaminopropylidene)-6,11-dihydrodibenzo[b,e]oxepin(Z)-2-Hydroxy-11-(3-dimethylaminopropylidene)6,11-dihydrodibenzo[b,e]oxepin
Database identifiers
- CAS
131523-96-1- PubChem CID
- 67319009
- DTXSID
DTXSID601344722- ChEBI
CHEBI:168802- Nikkaji
- J354.286F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 393
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysDoxepin Metabolism Pathway
Related reactions
4 records
Compound notes
Loading…