EcoDrugPlus


Synonyms	Aclidinium Aclidinium cation Aclidinium ion
Status
Molecule Category	Free-form
UNII	K17VY42F6C
EPA CompTox	DTXSID00223070


InChI Key	ASMXXROZKSBQIH-VITNCHFBSA-N
Smiles	O=C(O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)C(O)(c1cccs1)c1cccs1
InChI	InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1

Property Name	Value
Molecular Formula	C26H30NO4S2+
Molecular Weight	484.66
AlogP	4.67
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	55.76
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	33.0

Resources	Reference
ChEBI	65346
ChEMBL	CHEMBL1194325
DrugBank	DB08897
DrugCentral	4484
FDA SRS	K17VY42F6C
Guide to Pharmacology	7449
PubChem	11434515
SureChEMBL	SCHEMBL72141
ZINC	ZINC000030691727

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

ACLIDINIUM

Structure

Physicochemical Descriptors

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