Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: D07AC13

Structure

InChI Key QLIIKPVHVRXHRI-CXSFZGCWSA-N
Smile C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
InChI
InChI=1S/C22H28Cl2O4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,17+,19+,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28Cl2O4
Molecular Weight 427.37
AlogP 3.41
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 74.6
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Reference
Anemia, Sickle Cell Phase 2 ClinicalTrials
Asthma Phase 4 ClinicalTrials
Psoriasis Phase 4 ClinicalTrials
Asthma; Rhinitis; Rhinitis, Allergic; Rhinitis, Allergic, Seasonal Phase 4 ClinicalTrials
Rhinitis; Rhinitis, Allergic Phase 1 ClinicalTrials
Rhinitis; Rhinitis, Allergic; Rhinitis, Allergic, Seasonal Phase 4 ClinicalTrials
Rhinitis; Rhinitis, Allergic; Rhinitis, Allergic, Perennial Phase 3 ClinicalTrials
Rhinitis; Rhinitis, Allergic Phase 4 ClinicalTrials
Otitis; Otitis Media; Otitis Media with Effusion Phase 3 ClinicalTrials
Rhinitis; Rhinitis, Allergic; Rhinitis, Allergic, Perennial Phase 3 ClinicalTrials

Related Entries

MCS

Scaffolds

Parent