EcoDrugPlus


Synonyms	Kitazemin Mequitazine NSC-303612 Primalan
Status
Molecule Category	Free-form
ATC	R06AD07
UNII	Y463242LY2
EPA CompTox	DTXSID8023262


InChI Key	HOKDBMAJZXIPGC-UHFFFAOYSA-N
Smiles	c1ccc2c(c1)Sc1ccccc1N2CC1CN2CCC1CC2
InChI	InChI=1S/C20H22N2S/c1-3-7-19-17(5-1)22(18-6-2-4-8-20(18)23-19)14-16-13-21-11-9-15(16)10-12-21/h1-8,15-16H,9-14H2

Property Name	Value
Molecular Formula	C20H22N2S
Molecular Weight	322.48
AlogP	4.63
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	2.0
Polar Surface Area	6.48
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	23.0

Resources	Reference
ChEBI	31821
ChEMBL	CHEMBL73451
DrugBank	DB01071
DrugCentral	1707
FDA SRS	Y463242LY2
Human Metabolome Database	HMDB0015204
KEGG	C12755
PharmGKB	PA164748010
PubChem	4066
SureChEMBL	SCHEMBL18207

EcoDrug+ was developed under the PREMIER 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 EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

MEQUITAZINE

Structure

Physicochemical Descriptors

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