OTILONIUM BROMIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03AB06
UNII: 21HN3N72PV

Structure
InChI Key VWZPIJGXYWHBOW-UHFFFAOYSA-N
Smile CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1.[Br-]
InChI
InChI=1S/C29H42N2O4.BrH/c1-5-8-9-10-11-14-22-34-27-16-13-12-15-26(27)28(32)30-25-19-17-24(18-20-25)29(33)35-23-21-31(4,6-2)7-3;/h12-13,15-20H,5-11,14,21-23H2,1-4H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H43BrN2O4
Molecular Weight 563.58
AlogP 6.32
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 64.63
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2103773
EPA CompTox DTXSID0046357
FDA SRS 21HN3N72PV
PubChem 72092
SureChEMBL SCHEMBL109554
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