Sinequan
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: doxepin|Doxepine|trans-doxepin|(e)-doxepin|Doxepinum|Doxepina|Sinequan|Zonalon|Cidoxepina|Cidoxepinum|Cidoxepin|Quitaxon|Triadapin|Doxepin [USAN]|Methyllactate|Curatin|Deptran|Silenor|Adapin|Aponal|cis-doxepin|Doxepinum [INN-Latin]|Doxepin Hydrochloride|Doxepina [INN-Spanish]|Cidoxepin [INN]|Sinequan (TN)|Doxepin HCl|Doxepin, (E)-|Doxepin (INN)|[11C]doxepin|Sinequan, Zonalon|[11C]-doxepin|(Z)-Doxepin|Doxepin, Hydrochloride|Adapine (TN)|Deptran (TN)|Sinquan (TN)|Zonalon (TN)|Doxepin [INN:BAN]|Aponal (TN)|Doxepin (Z)-isomer|Doxepine hydrochloride|Xepin (TN)|Doxepin Hydrochloride,|E-DOXEPIN|Tocris-0508|Prestwick2_000263|Prestwick3_000263
| Molecular Formula | C19H21NO |
|---|---|
| Molecular Weight | 279.16232 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.16232 |
| Monoisotopic Mass | 279.16232 |
| Heavy Atoms | 21 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 3607-34-9 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=CC=CC=C2COC3=CC=CC=C31 |
| InChIKey | ODQWQRRAPPTVAG-GZTJUZNOSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sinequan (CAS 3607-34-9), with molecular formula C19H21NO and molecular weight 279.16232 g/mol. IUPAC: (3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine.