Fexofenadine hydrochlorideProduct ingredient for Fexofenadine
- Name
- Fexofenadine hydrochloride
- Drug Entry
- Fexofenadine
Fexofenadine is an over-the-counter second-generation antihistamine used in the treatment of various allergic symptoms.10 It is selective for the H1 receptor, carries little-to-no activity at off-targets, and does not cross the blood-brain barrier9 - this is in contrast to previous first-generation antihistamines, such as diphenhydramine, which readily bind to off-targets that contribute to side effects such as sedation.1 Fexofenadine is the major active metabolite of terfenadine7 and is administered as a racemic mixture in which both enantiomers display approximately equivalent antihistamine activity.9
- Accession Number
- DBSALT001227
- Structure
Structure for Fexofenadine hydrochloride (DBSALT001227)
- Synonyms
- Fexofenadine HCl
- UNII
- 2S068B75ZU
- CAS Number
- 153439-40-8
- Weight
- Average: 538.13
Monoisotopic: 537.2645865 - Chemical Formula
- C32H40ClNO4
- InChI Key
- RRJFVPUCXDGFJB-UHFFFAOYSA-N
- 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
- IUPAC Name
- 2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl}phenyl)-2-methylpropanoic acid hydrochloride
- SMILES
- Cl.CC(C)(C(O)=O)C1=CC=C(C=C1)C(O)CCCN1CCC(CC1)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
- External Links
- ChemSpider
- 56703
- ChEBI
- 5051
- ChEMBL
- CHEMBL1200618
- Wikipedia
- Fexofenadine
- Predicted Properties
Property Value Source Water Solubility 0.00266 mg/mL ALOGPS logP 5.02 ALOGPS logP 2.94 Chemaxon logS -5.3 ALOGPS pKa (Strongest Acidic) 4.04 Chemaxon pKa (Strongest Basic) 9.01 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 81 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 147.98 m3·mol-1 Chemaxon Polarizability 58.59 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon