General Information of the Compound
| Compound ID |
CP0115394
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8629135, SW-07
Show/Hide
|
||||||||||||||||||
| Synonyms |
Cidoxepin
(3E)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
(3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-di(methyl)propan-1-amine
(3Z)-3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
(Z)-Doxepin
(e)-doxepin
11-(3-(Dimethylamino)propylidene)-6H-dibenz(b,e)oxepine
11-(3-Dimethylamino-propyliden)-6,11-dihydro-dibenz(b,e)oxipin
11-(3-Dimethylaminopropylidene)-6,11-dihydrodibenz(b,e)oxipin
1668-19-5
3-(6H-benzo[c][1]benzoxepin-11-ylidene)-N,N-dimethylpropan-1-amine
3-Dibenz[b,e]oxepin-11(6H)-ylidene-N,N-dimethyl-1-propanamine
3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
851NLB57HQ
Adapin
Adapine (TN)
Aponal (TN)
CCRIS 9176
Cidoxepin [INN]
Cidoxepina
Cidoxepinum
Cis-N-(3-(6H-Dibenz(b,e)oxepin-11-yliden)propyl)-N,N-dimethylamin
Cis-doxepin
Curatin
Deptran (TN)
Doxepin
Doxepin (INN)
Doxepin (Z)-isomer
Doxepin Hydrochloride
Doxepin [USAN]
Doxepin, Hydrochloride
Doxepina
Doxepina [INN-Spanish]
Doxepine
Doxepinum
Doxepinum [INN-Latin]
HSDB 3069
MF 10
MOLI001594
N,N-Dimethyldibenz(b,e)oxepin-delta(11(6H),gamma)-propylamine
Quitaxon
Sinequan
Sinequan (TN)
Sinquan (TN)
Triadapin
UNII-851NLB57HQ
Xepin (TN)
Zonalon
Zonalon (TN)
[11C]doxepin
doxepin
trans-doxepin
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21NO
|
||||||||||||||||||
| Molecular Weight |
279.383
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC\C=C1/c2ccccc2COc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ODQWQRRAPPTVAG-GZTJUZNOSA-N
|
||||||||||||||||||
| CAS |
1668-19-5
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound