umeclidinium   Click here for help

GtoPdb Ligand ID: 7354

Synonyms: GSK573719A | Incruse Ellipta®
Approved drug Immunopharmacology Ligand
umeclidinium is an approved drug (FDA (2013), EMA (2014))
Compound class: Synthetic organic
Comment: The compound approved in Anoro Ellipta® is umeclidinium bromide (PubChem CID 11519069), and this preparation is documented in the INN record. We display the parent compound here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 29.46
Molecular weight 428.26
XLogP 4.92
No. Lipinski's rules broken 0
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Canonical SMILES OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1
Isomeric SMILES OC(C12CC[N+](CC1)(CC2)CCOCc1ccccc1)(c1ccccc1)c1ccccc1
InChI 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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2013), EMA (2014))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9551 umeclidinium bromide
Synonyms Click here for help
GSK573719A | Incruse Ellipta®
Database Links Click here for help
Specialist databases
GPCRdb Ligand umeclidinium
Other databases
CAS Registry No. 869185-19-3
ChEMBL Ligand CHEMBL1187833
DrugCentral Ligand 4816
GtoPdb PubChem SID 178103926
PubChem CID 11519070
Search Google for chemical match using the InChIKey FVTWTVQXNAJTQP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FVTWTVQXNAJTQP
Search PubMed clinical trials umeclidinium bromide
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UniChem Compound Search for chemical match using the InChIKey FVTWTVQXNAJTQP-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey FVTWTVQXNAJTQP-UHFFFAOYSA-N
Wikipedia Umeclidinium