OTILONIUM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 6330179ARU

Structure
InChI Key NQHNLNLJPDMBFN-UHFFFAOYSA-O
Smile CCCCCCCCOc1ccccc1C(=O)Nc1ccc(C(=O)OCC[N+](C)(CC)CC)cc1
InChI
InChI=1S/C29H42N2O4/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/p+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H43N2O4+
Molecular Weight 483.67
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

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135780
ChEMBL CHEMBL1433361
DrugBank DB13500
DrugCentral 2003
EPA CompTox DTXSID0048391
FDA SRS 6330179ARU
PubChem 72093
SureChEMBL SCHEMBL20352274
ZINC ZINC000008214636
CONTENTS