OXYPHENONIUM BROMIDE

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: S9421HWB3Z

Structure
InChI Key UKLQXHUGTKWPSR-UHFFFAOYSA-M
Smile CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)C1CCCCC1.[Br-]
InChI
InChI=1S/C21H34NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19,24H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H34BrNO3
Molecular Weight 428.41
AlogP 3.48
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 46.53
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist ISBN PubMed

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1200906
EPA CompTox DTXSID4045632
FDA SRS S9421HWB3Z
PubChem 5748
SureChEMBL SCHEMBL248890
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