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Fexofenadine hydrochloride

CAT: 0013-GTR19175115-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175115-01Size:10 mg
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Description
Fexofenadine hydrochloride, also known as terfenadine carboxylate hydrochloride, is a second-generation antihistamine. It is utilized in research on allergic conditions such as rhinitis and urticaria, serving as a key tool for in vitro and in vivo studies of H1-receptor antagonism.
CAS Number
153439-40-8
Product Name Alternative
Allegra, inhibit, HistamineReceptor, Histamine Receptor, MDL 16455, MDL 16455 Hydrochloride, MDL 16455A, MDL16455, MDL-16455, MDL16455 Hydrochloride, MDL-16455 hydrochloride, MDL-16455 Hydrochloride, Inhibitor, Fexofenadine, Fexofenadine HCl, Fexofenadine Hydrochloride, H1 receptor, Terfenadine carboxylate, Terfenidine carboxylate hydrochloride, Terfenidine carboxylate Hydrochloride, Telfast
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
≥95% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.72 mM) ; DMSO:26.9 mg/mL (49.99 mM)
Smiles
Cl.CC (C) (C (O) =O) c1ccc (cc1) C (O) CCCN1CCC (CC1) C (O) (c1ccccc1) c1ccccc1
Molecular Formula
C32H39NO4·HCl
Molecular Weight
538.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fexofenadine Hydrochloride

Fexofenadine hydrochloride is a diarylmethane.

CAS Number153439-40-8
PubChem CID63002
IUPAC Name2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride
Molecular FormulaC32H40ClNO4
Molecular Weight538.1
Topological Polar Surface Area81
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity678
SMILES
CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O.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
InChIKey
RRJFVPUCXDGFJB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fexofenadine Hydrochloride
CAS: 153439-40-8
CID: 63002
Formula: C32H40ClNO4
MW: 538.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight538.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass537.2645865
Monoisotopic Mass537.2645865
Topological Polar Surface Area81 Ų
Heavy Atom Count38
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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