glycopyrrolate   

GtoPdb Ligand ID: 7459

Synonyms: AHR-504 | Qbrexza® (glycopyrronium cloth) | Robinul® | Seebri Neohaler® | Tovanor Breezhaler®
glycopyrrolate is an approved drug (FDA (1961), EMA (2012))
Compound class: Synthetic organic
Comment: Glycopyrrolate is the active moiety of the approved drug glycopyrronium bromide. It is an anticholinergic drug.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 46.53
Molecular weight 318.21
XLogP 2.59
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C
Isomeric SMILES O=C(C(c1ccccc1)(C1CCCC1)O)OC1CC[N+](C1)(C)C
InChI InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1
InChI Key ANGKOCUUWGHLCE-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1961), EMA (2012))
IUPAC Name
(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate
International Nonproprietary Names
INN number INN
1038 glycopyrronium bromide
Synonyms
AHR-504 | Qbrexza® (glycopyrronium cloth) | Robinul® | Seebri Neohaler® | Tovanor Breezhaler®
Database Links
CAS Registry No. 13283-82-4
ChEMBL Ligand CHEMBL1201335
DrugBank Ligand DB00986
DrugCentral Ligand 4302
GtoPdb PubChem SID 187051762
PubChem CID 3494
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Search PubMed clinical trials glycopyrronium bromide
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Search UniChem for chemical match using the InChIKey ANGKOCUUWGHLCE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone ANGKOCUUWGHLCE
Wikipedia Glycopyrronium bromide