protriptyline   

GtoPdb Ligand ID: 7285

Synonyms: MK-240 | Vivactil®
protriptyline is an approved drug (FDA (1967))
Compound class: Synthetic organic
Comment: Protriptyline is a tricyclic antidepressant.
Marketed formulations may contain protriptyline hydrochloride (PubChem CID 6603149).
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 12.03
Molecular weight 263.17
XLogP 4.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCCCC1c2ccccc2C=Cc2c1cccc2
Isomeric SMILES CNCCCC1c2ccccc2C=Cc2c1cccc2
InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
InChI Key BWPIARFWQZKAIA-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1967))
IUPAC Name
3-(11H-dibenzo[1,2-a:1',2'-e][7]annulen-11-yl)-N-methylpropan-1-amine
International Nonproprietary Names
INN number INN
1663 protriptyline
Synonyms
MK-240 | Vivactil®
Database Links
CAS Registry No. 438-60-8
ChEMBL Ligand CHEMBL668
DrugBank Ligand DB00344
DrugCentral Ligand 2320
GtoPdb PubChem SID 178103859
PubChem CID 4976
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Wikipedia Protriptyline