EcoDrugPlus


Synonyms	Buclizine
Status
Molecule Category	Free-form
ATC	R06AE01
UNII	0C94V6X681
EPA CompTox	DTXSID0022694


InChI Key	MOYGZHXDRJNJEP-UHFFFAOYSA-N
Smiles	CC(C)(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccc(Cl)cc3)CC2)cc1
InChI	InChI=1S/C28H33ClN2/c1-28(2,3)25-13-9-22(10-14-25)21-30-17-19-31(20-18-30)27(23-7-5-4-6-8-23)24-11-15-26(29)16-12-24/h4-16,27H,17-21H2,1-3H3

Property Name	Value
Molecular Formula	C28H33ClN2
Molecular Weight	433.04
AlogP	6.54
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	6.48
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	31.0

Resources	Reference
ChEBI	3205
ChEMBL	CHEMBL1201271
DrugBank	DB00354
DrugCentral	416
FDA SRS	0C94V6X681
Human Metabolome Database	HMDB0014498
Guide to Pharmacology	7134
KEGG	C07777
PharmGKB	PA164748223
PubChem	6729
SureChEMBL	SCHEMBL27855

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

BUCLIZINE

Structure

Physicochemical Descriptors

Related Entries

Cross References