nortriptyline   

GtoPdb Ligand ID: 2404

Synonyms: Aventyl® | nortriptyline hydrochloride | Pamelor®
nortriptyline is an approved drug (FDA (1964))
Compound class: Synthetic organic
Comment: Nortriptyline is a second-generation tricyclic antidepressant (TCA).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 12.03
Molecular weight 263.17
XLogP 4.69
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CNCCC=C1c2ccccc2CCc2c1cccc2
Isomeric SMILES CNCCC=C1c2ccccc2CCc2c1cccc2
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/h2-5,7-11,20H,6,12-14H2,1H3
InChI Key PHVGLTMQBUFIQQ-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1964))
IUPAC Name
methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine
International Nonproprietary Names
INN number INN
1328 nortriptyline
Synonyms
Aventyl® | nortriptyline hydrochloride | Pamelor®
Database Links
BindingDB Ligand 50020710
CAS Registry No. 72-69-5 (source: DrugBank)
ChEBI CHEBI:7640
ChEMBL Ligand CHEMBL445
DrugBank Ligand DB00540
DrugCentral Ligand 1971
GtoPdb PubChem SID 135650736
PubChem CID 4543
RCSB PDB Ligand 21B
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Wikipedia Nortriptyline