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Home/Compounds/CAS 869113-09-7
Formula C29H34BrNO2MW 508.5Research-use catalog entryCOA/SDS by request

Umeclidinium bromide

CAS Number: 869113-09-7

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Loading RDKit molecule structure...
InChIKey: PEJHHXHHNGORMP-UHFFFAOYSA-MC29H34BrNO2 | MW 508.5

Chemical Absolute Identifiers

CAS Number

869113-09-7

PubChem CID

11519069

Molecular Formula

C29H34BrNO2

Molecular Weight

508.5 g/mol

Exact Mass

507.17729

InChIKey

PEJHHXHHNGORMP-UHFFFAOYSA-M

IUPAC Name

diphenyl-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]methanol bromide

SMILES String

C1C[N+]2(CCC1(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CCOCC5=CC=CC=C5.[Br-]

Physical Properties

No physical property values available.

Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.

Catalog Facts

Structural features

Umeclidinium bromide (CAS 869113-09-7) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C29H34BrNO2 and molecular weight 508. 50 g/mol.

Sourcing context

Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.

Research use context

Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.

Documentation needs

COA/SDS status, availability, lead time, pack size, and shipment documentation can be confirmed during quotation.

Applications & Classification

Pharmaceutical Intermediate ResearchResearch intermediateCustom synthesis building blockPharmaceutical intermediate researchResearch chemical sourcingCustom synthesis and catalog availability reviewCOA, SDS, pricing, and fulfillment workflow
Biological target reference

ChEMBL reports experimental activity evidence for: Muscarinic acetylcholine receptor M3 (Homo sapiens) — 5 assays; Muscarinic acetylcholine receptor M2 (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.

Muscarinic acetylcholine receptor M3

Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 1 documents · best pChEMBL 10.5

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M2

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 10.5

Experimental evidence source: ChEMBL

Muscarinic acetylcholine receptor M1

Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.8

Experimental evidence source: ChEMBL

Safety & Handling

Safety and handling reference content is available through documentation requests.

For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.

Preliminary Safety Reference

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Names & Synonyms / External Identifiers

Chemical Name

Umeclidinium bromide

Names & Synonyms

Incruse ElliptaAnoro Ellipta1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromidebromure d'umeclidiniumbromuro de umeclidinio
Show all synonyms
1-(2-(benzyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromideC29H34BrNO21-[2-(benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-azabicyclo[2.2.2]octan-1-ium bromide1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-, bromide (1:1)Umeclidinium bromide [USAN]Umeclidinium bromUmeclidinium bromide [USAN:INN]umeclidinii bromidum1-Azoniabicyclo(2.2.2)octane, 4-(hydroxydiphenylmethyl)-1-(2-(phenylmethoxy)ethyl)-, bromide (1:1)4-[Hydroxy(diphenyl)methyl]-1-[2-[(phenylmethyl)oxy]ethyl]-1-azoniabicyclo[2.2.2]octane bromide4-[Hydroxy(diphenyl)methyl]-1-{2-[(phenylmethyl)oxy]ethyl}-1-azoniabicyclo[2.2.2]octane BromideUMECUmeclidinium bromide?Incruse ellipta (TN)
External Identifiers
EC NUMBER: 638-761-1DSSTOX SUBSTANCE ID: DTXSID50235966CHEMBL ID: CHEMBL523299CHEBI ID: CHEBI:79040UNII: 7AN603V4JVKEGG ID: D10181NCI THESAURUS CODE: C152797RXCUI: 1487512WIKIDATA ID: Q15624035
Literature & Patent References
DOI 10.1101/2020.04.21.054387Identification of potential treatments for COVID-19 through artificial intelligence-enabled phenomic analysis of human cells infected with SARS-CoV-2DOI 10.21203/rs.3.rs-23951/v1Identification of inhibitors of SARS-CoV-2 in-vitro cellular toxicity in human (Caco-2) cells using a large scale drug repurposing collectionDOI 10.6019/CHEMBL4495564Identification of inhibitors of SARS-Cov2 M-Pro enzymatic activity using a small molecule repurposing screenDOI 10.6019/CHEMBL4495565Cytopathic SARS-Cov2 screening on VERO-E6 cells in a large repurposing effortDOI 10.1021/jm801601vDiscovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists.PMID 19317446Discovery of novel 1-azoniabicyclo[2.2.2]octane muscarinic acetylcholine receptor antagonists.

Documentation & Compliance Facts

Compliance Facts

Shipment review: Required

Documentation available by request

Certificate of Analysis (COA): By request

Supplier Safety Data Sheet (SDS): By request

Purity and pack size confirmation: By request

Availability and lead time review: Confirmed by RFQ

Shipment documentation review: By request

For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference

What happens after RFQ

  1. 1We review the CAS identity, quantity, and documentation request.
  2. 2We check sourcing options, supplier availability, COA/SDS, purity, pack size, and lead time.
  3. 3We review destination and shipment documentation needs when applicable.
  4. 4We follow up with a quotation or clarification request.

Text Reference Cues

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Non-public related references

2-Pyrrolidinemethanol, alpha,alpha-diphenyl-, (R)-CAS 22348-32-9
8-Acetyl-6-(benzyloxy)-2H-1,4-benzoxazin-3(4H)-oneCAS 869478-09-1
6-(Benzyloxy)-8-(2-bromoacetyl)-2H-benzo[b][1,4]oxazin-3(4H)-oneCAS 926319-53-1
8-(2-Chloroacetyl)-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-oneCAS 869478-10-4
8-((1R)-2-Chloro-1-hydroxyethyl)-6-(phenylmethoxy)-2H-1,4-benzoxazin-3(4H)-oneCAS 869478-11-5

Non-public references are shown as text only and do not imply equivalence, availability, or shared use.

Catalog navigation

Related Catalog Entries

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.

CAS 100643-71-8DesloratadineCAS 111974-69-7QuetiapineCAS 1170613-55-4A-967079CAS 1002310-00-0Tert-butyl 1-(2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethylcarbamateCAS 1005174-17-3(E)-3-(2-Propyl-6-(trifluoromethyl)pyridin-3-yl)acrylic acidCAS 1018125-49-92-(3-Cyclopropyl-6-ethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidCAS 1018128-07-8Isopropyl 4-chloro-2-methylquinoline-6-carboxylateCAS 1018142-22-76-cyclopropyl-1-(2,2-difluoroethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidCAS 1018144-00-72-(3-Cyclopropyl-6-isopropyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

RFQ questions for CAS 869113-09-7

What are the key identifiers for Umeclidinium bromide (CAS 869113-09-7)?

Umeclidinium bromide is identified by CAS 869113-09-7, with molecular formula C29H34BrNO2, molecular weight 508.5, InChIKey PEJHHXHHNGORMP-UHFFFAOYSA-M.

Does CAS 869113-09-7 have reported biological target evidence?

ChEMBL contains qualifying experimental assay evidence associated with Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M2, Muscarinic acetylcholine receptor M1. These records do not establish therapeutic efficacy or clinical use.

Can I request a COA for CAS 869113-09-7?

Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.

Can I request supplier SDS for Umeclidinium bromide?

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