Structure

InChI Key YWGDOWXRIALTES-NRFANRHFSA-N
Smile O=C(O)CCCN1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1
InChI
InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25ClN2O3
Molecular Weight 388.9
AlogP 4.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 62.66
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Conjunctivitis, Allergic 3 D003233 ClinicalTrials
Rhinitis, Allergic, Perennial 3 D012221 ClinicalTrials
Dermatitis 3 D003872 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 125602-71-3
ChEBI 71204
ChEMBL CHEMBL1201758
DrugCentral 341
FDA SRS HYD2U48IAS
Guide to Pharmacology 7466
PubChem 164522
SureChEMBL SCHEMBL29459
ZINC ZINC000000602128