IPRATROPIUM BROMIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
ATC R01AX03 R03BB01
UNII J697UZ2A9J
EPA CompTox DTXSID3045772
Parent Compound: IPRATROPIUM

Structure

InChI Key KEWHKYJURDBRMN-XSAPEOHZSA-M
Smiles CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O.[Br-]
InChI
InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21?;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H32BrNO4
Molecular Weight 430.38
AlogP 2.85
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST ISBN PubMed DailyMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M3
Description: Muscarinic acetylcholine receptor M3
Organism : Homo sapiens
P20309 ENSG00000133019

Cross References

Resources Reference
ChEMBL CHEMBL2134724
FDA SRS J697UZ2A9J
SureChEMBL SCHEMBL1476937
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