Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: Salt
UNII: RYI4401DTM
Parent Compound: INDACATEROL

Structure

InChI Key HZHXFIDENGBQFQ-FTBISJDPSA-N
Smile CC(=O)O.CCc1cc2c(cc1CC)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2
InChI
InChI=1S/C24H28N2O3.C2H4O2/c1-3-14-9-16-11-18(12-17(16)10-15(14)4-2)25-13-22(28)19-5-7-21(27)24-20(19)6-8-23(29)26-24;1-2(3)4/h5-10,18,22,25,27-28H,3-4,11-13H2,1-2H3,(H,26,29);1H3,(H,3,4)/t22-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32N2O5
Molecular Weight 452.55
AlogP 3.15
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 85.35
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 3 D001249 ClinicalTrials

Related Entries

Scaffolds

Parent

Cross References

Resources Reference
ChEMBL CHEMBL4297657
EPA CompTox DTXSID70142865
FDA SRS RYI4401DTM
PubChem 24178422
SureChEMBL SCHEMBL362019