General Information of the Compound
| Compound ID |
CP0882700
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| Compound Name |
UMECLIDINIUM BROMIDE
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| Synonyms |
1-(2-(benzyloxy)ethyl)-4-(hydroxydiphenylmethyl)quinuclidin-1-ium bromide
1-Azoniabicyclo(2.2.2)octane, 4-(hydroxydiphenylmethyl)-1-(2
1-Azoniabicyclo[2.2.2]octane, 4-(hydroxydiphenylmethyl)-1-[2-(phenylmethoxy)ethyl]-, bromide (1:1)
1-[2-(Benzyloxy)ethyl]-4-(hydroxydiphenylmethyl)-1-quinuclidinium Bromide
7AN603V4JV
869113-09-7
CHEMBL523299
GSK-573719
GSK573719A
Incruse Ellipta
UNII-7AN603V4JV
Umeclidinium (bromide)
Umeclidinium brom
Umeclidinium bromide
Umeclidinium bromide [USAN:INN]
umeclidinii bromidum
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| Structure |
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| Formula |
C29H34BrNO2
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| Molecular Weight |
508.5
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| Canonical SMILES |
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2.[Br-]
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| InChI |
InChI=1S/C29H34NO2.BrH/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;1H/q+1;/p-1
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| InChIKey |
PEJHHXHHNGORMP-UHFFFAOYSA-M
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| CAS |
869113-09-7
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Clinical Information about the Compound