FEXOFENADINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 2S068B75ZU
EPA CompTox DTXSID5048716
Parent Compound: FEXOFENADINE

Structure

InChI Key RRJFVPUCXDGFJB-UHFFFAOYSA-N
Smiles CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl
InChI
InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H40ClNO4
Molecular Weight 538.13
AlogP 5.51
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 10.0
Polar Surface Area 81.0
Molecular species ZWITTERION
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST DailyMed

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 5051
ChEMBL CHEMBL1200618
FDA SRS 2S068B75ZU
Guide to Pharmacology 4819
KEGG C06999
PubChem 63002
SureChEMBL SCHEMBL40914
ZINC ZINC03872566
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