Umeclidinium (CED0007195)

Record Information

Version

1.0

Creation Date

2026-04-04 18:13:41 UTC

Update Date

2026-05-14 19:02:15 UTC

Accession Number

CHEM077383

Identification

Common Name

Umeclidinium

Class

Small Molecule

Description

Umeclidinium is an organic compound with the formula C29H34N1O2 and an average molecular weight of 428.60 g/mol. Umeclidinium belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from two recorded sources: household cleaning and consumer products, specifically pipe accessories, and healthcare, pharmaceuticals and veterinary products, where it is used as a drug for obstructive airway diseases. Recorded exposure routes for the substance include oral and respiratory pathways. Regarding its biological activity, umeclidinium interacts with five recorded protein targets. It functions as an antagonist of the muscarinic acetylcholine receptors M1 (CHRM1), M2 (CHRM2), M3 (CHRM3), and M4 (CHRM4), in addition to one other protein.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₃₄N₁O₂

Average Molecular Mass

428.595 g/mol

Monoisotopic Mass

428.259 g/mol

CAS Registry Number

869185-19-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OC(C1=CC=CC=C1)(C1=CC=CC=C1)C12CC[N+](CCOCC3=CC=CC=C3)(CC1)CC2

InChI Identifier

InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1

InChI Key

FVTWTVQXJTQP-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2244.0	Log mg/kg	[1300:4000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
391	Drugs for obstructive airway diseases	Healthcare, pharmaceuticals & veterinary products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available

Pathways

1 pathway

Umeclidinium Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Solute carrier family 12 member 5	Q63633	Rattus norvegicus	Predicted (SEA)	25.301
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	703.679
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	1008.38
Click to view 3D structure	Muscarinic acetylcholine receptor M3	Q8VH26	Cavia porcellus	Predicted (SEA)	68.7409
Click to view 3D structure	Ceramide glucosyltransferase	Q16739	Humans	Predicted (SEA)	6.22794
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	1329.2
Click to view 3D structure	Substance-P receptor	P25103	Humans	Predicted (SEA)	764.09
Click to view 3D structure	Non-lysosomal glucosylceramidase	Q9HCG7	Humans	Predicted (SEA)	8.09632
Click to view 3D structure	Muscarinic acetylcholine receptor M4	P08173	Humans	Predicted (SEA)	1174.2
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	1691.74
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P10980	Rattus norvegicus	Predicted (SEA)	279.089
Click to view 3D structure	Muscarinic acetylcholine receptor M1	Q8WMX0	Bos taurus	Predicted (SEA)	38.3797
Click to view 3D structure	Sodium/iodide cotransporter	Q63008	Rattus norvegicus	Predicted (SEA)	97.1558
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	1273.54
Click to view 3D structure	p-hydroxybenzoate hydroxylase	P00438	Pseudomonas fluorescens	Predicted (SEA)	149.003
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	2338.43
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	5007.11
Click to view 3D structure	Pantothenate kinase, putative	Q8ILP4	Plasmodium falciparum (isolate 3D7)	Predicted (SEA)	88.2032
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	3812.51
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	3512.01
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	4021.77
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	2986.92
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P08482	Rattus norvegicus	Predicted (SEA)	730.304
Click to view 3D structure	Alpha-1A adrenergic receptor	Q9TSW7	Sus scrofa	Predicted (SEA)	245.77
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	4920.77