trazodone   

GtoPdb Ligand ID: 213

Synonyms: AF-1161 | Desyrel® | Molipaxin® | Oleptro®
trazodone is an approved drug (FDA (1981))
Compound class: Synthetic organic
Comment: Marketed formulations may contain trazodone hydrochloride (PubChem CID 62935).
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 45.78
Molecular weight 371.15
XLogP 3.94
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2
Isomeric SMILES Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2
InChI InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
InChI Key PHLBKPHSAVXXEF-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1981))
IUPAC Name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one
International Nonproprietary Names
INN number INN
2878 trazodone
Synonyms
AF-1161 | Desyrel® | Molipaxin® | Oleptro®
Database Links
BindingDB Ligand 50073444
CAS Registry No. 19794-93-5
ChEBI CHEBI:9654
ChEMBL Ligand CHEMBL621
DrugBank Ligand DB00656
DrugCentral Ligand 2717
GtoPdb PubChem SID 135651275
PubChem CID 5533
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Wikipedia Trazodone