EcoDrugPlus


Synonyms	Propantheline Propantheline cation Propantheline ion
Status
Molecule Category	Free-form
ATC	A03AB05
UNII	1306V2B0Q8
EPA CompTox	DTXSID6047230


InChI Key	VVWYOYDLCMFIEM-UHFFFAOYSA-N
Smiles	CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc2ccccc21)C(C)C
InChI	InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1

Property Name	Value
Molecular Formula	C23H30NO3+
Molecular Weight	368.5
AlogP	4.73
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	35.53
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	27.0

Resources	Reference
CAS NUMBER	298-50-0
ChEBI	8481
ChEMBL	CHEMBL1180725
DrugBank	DB00782
DrugCentral	2293
FDA SRS	1306V2B0Q8
Human Metabolome Database	HMDB0014920
Guide to Pharmacology	329
KEGG	C07506
PharmGKB	PA164746224
PubChem	4934
SureChEMBL	SCHEMBL80089
ZINC	ZINC000001530761

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 23^rd March 2026

PROPANTHELINE

Structure

Physicochemical Descriptors

Related Entries

Cross References