EcoDrugPlus


Synonyms	Trimebutine Trimebutine maleate
Status
Molecule Category	Free-form
ATC	A03AA05
UNII	9RKX7S7WFY
EPA CompTox	DTXSID4023707

Synonyms

Trimebutine

Trimebutine maleate

Status

Molecule Category

Free-form

ATC

A03AA05

UNII

9RKX7S7WFY

EPA CompTox

DTXSID4023707


InChI Key	LORDFXWUHHSAQU-UHFFFAOYSA-N
Smiles	CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C
InChI	InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3

InChI Key

LORDFXWUHHSAQU-UHFFFAOYSA-N

Smiles

CCC(COC(=O)c1cc(OC)c(OC)c(OC)c1)(c1ccccc1)N(C)C

InChI

InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3

Property Name	Value
Molecular Formula	C22H29NO5
Molecular Weight	387.48
AlogP	3.74
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	9.0
Polar Surface Area	57.23
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C22H29NO5

Molecular Weight

387.48

AlogP

3.74

Hydrogen Bond Acceptor

6.0

Number of Rotational Bond

9.0

Polar Surface Area

57.23

Molecular species

BASE

Aromatic Rings

2.0

Heavy Atoms

28.0

Resources	Reference
ChEBI	94458
ChEMBL	CHEMBL190044
DrugBank	DB09089
DrugCentral	2748
FDA SRS	9RKX7S7WFY
PubChem	5573
SureChEMBL	SCHEMBL25705

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

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

TRIMEBUTINE

Structure

Physicochemical Descriptors

Cross References