TRAZODONE


Synonyms	Desyrel J10.767K Trazodone Trialodine Trittico
Status
Molecule Category	Free-form
ATC	N06AX05
UNII	YBK48BXK30
EPA CompTox	DTXSID5045043


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	PHLBKPHSAVXXEF-UHFFFAOYSA-N
Smiles	O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
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

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H22ClN5O
Molecular Weight	371.87
AlogP	2.36
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	5.0
Polar Surface Area	45.78
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	26.0

Environmental Exposure

Environmental Exposure Map

Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Slovakia
Slovenia

Cross References

Resources	Reference
ChEBI	9654
ChEMBL	CHEMBL621
DrugBank	DB00656
DrugCentral	2717
FDA SRS	YBK48BXK30
Human Metabolome Database	HMDB0014794
Guide to Pharmacology	213
KEGG	C07156
PharmGKB	PA451744
PubChem	5533
SureChEMBL	SCHEMBL28167
ZINC	ZINC000000538483

CONTENTS


PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).