dosulepin   Click here for help

GtoPdb Ligand ID: 7549

Synonyms: Dothep® | dothiepin | Prothiaden®
Approved drug
dosulepin is an approved drug
Compound class: Synthetic organic
Comment: Dosulepin is a tricyclic antidepressant. Functionally it acts as a serotonin-norepinephrine reuptake inhibitor (SNRI) with anticholinergic, antihistamine, and antiadrenergic effects.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 28.54
Molecular weight 295.14
XLogP 4.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCC=C1c2ccccc2SCc2c1cccc2)C
Isomeric SMILES CN(CC/C=C/1\c2ccccc2SCc2c1cccc2)C
InChI InChI=1S/C19H21NS/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-
InChI Key PHTUQLWOUWZIMZ-BOPFTXTBSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name Click here for help
(3Z)-3-(6H-benzo[c][1]benzothiepin-11-ylidene)-N,N-dimethylpropan-1-amine
International Nonproprietary Names Click here for help
INN number INN
1790 dosulepin
Synonyms Click here for help
Dothep® | dothiepin | Prothiaden®
Database Links Click here for help
CAS Registry No. 113-53-1
ChEBI CHEBI:36802
ChEMBL Ligand CHEMBL108947
GtoPdb PubChem SID 223365885
PubChem CID 5282426
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Wikipedia Dosulepin