EcoDrugPlus


Synonyms	N-desmethylketotifen Norketotifen
Status
Molecule Category	Free-form
UNII	Z24BD2IFB3


InChI Key	IYSYPCSSDZBWHN-UHFFFAOYSA-N
Smiles	O=C1Cc2ccccc2C(=C2CCNCC2)c2ccsc21
InChI	InChI=1S/C18H17NOS/c20-16-11-13-3-1-2-4-14(13)17(12-5-8-19-9-6-12)15-7-10-21-18(15)16/h1-4,7,10,19H,5-6,8-9,11H2

Property Name	Value
Molecular Formula	C18H17NOS
Molecular Weight	295.41
AlogP	3.67
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	29.1
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	21.0

Resources	Reference
ChEBI	174806
ChEMBL	CHEMBL1197564
FDA SRS	Z24BD2IFB3
Human Metabolome Database	HMDB0060646
PubChem	9904236
SureChEMBL	SCHEMBL936577
ZINC	ZINC000005517457

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

NORKETOTIFEN

Structure

Physicochemical Descriptors

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