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Fexofenadine HCl

CAT: 0607-B1573-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1573-50Size:50 mg
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Description
Histamine H1 receptor inhibitor
CAS Number
153439-40-8
Product Name Alternative
2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;hydrochloride
Field of Research
Neuroscience Histamine Receptor
Purity
0.9914
Form
A solid
Solubility
insoluble in H2O; ≥26.91 mg/mL in DMSO; ≥51.2 mg/mL in EtOH
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
Molecular Formula
C32H39NO4·HCl
Molecular Weight
538.12
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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