THIETHYLPERAZINE


Synonyms	Thiethylperazine Torecan
Status
Molecule Category	UNKNOWN
ATC	R06AD03
UNII	8ETK1WAF6R
EPA CompTox	DTXSID1023651


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

Structure


InChI Key	XCTYLCDETUVOIP-UHFFFAOYSA-N
Smiles	CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2
InChI	InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H29N3S2
Molecular Weight	399.63
AlogP	5.04
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	0.0
Number of Rotational Bond	6.0
Polar Surface Area	9.72
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Related Entries

Cross References

Resources	Reference
ChEBI	9544
ChEMBL	CHEMBL1378
DrugBank	DB00372
DrugCentral	2630
FDA SRS	8ETK1WAF6R
Human Metabolome Database	HMDB0014516
Guide to Pharmacology	7306
KEGG	C07132
PharmGKB	PA164748882
PubChem	5440
SureChEMBL	SCHEMBL49124
ZINC	ZINC000022446674

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).