(R)-Fexofenadine

Base Information

• Chemical Name: (R)-Fexofenadine
• CAS No.: 139965-10-9
• Molecular Formula: C32H39 N O4
• Molecular Weight: 501.66
• DSSTox Substance ID: DTXSID601039498
• Nikkaji Number: J434.876A
• ChEMBL ID: CHEMBL73285
• Mol file: 139965-10-9.mol

Synonyms:(R)-Fexofenadine;139965-10-9;2-[4-[(1R)-1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid;Benzeneacetic acid, 4-[(1R)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-;R-Fexofenadine;MLS001165756;CHEMBL73285;SCHEMBL1972366;RWTNPBWLLIMQHL-GDLZYMKVSA-N;DTXSID601039498;HMS2233N24;AM84489;SMR000550479;EN300-25618160;J-007338;(R)-(+)-4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-hydroxybutyl]-alpha,alpha-dimethylbenzeneacetic acid;2-{4-[(1R)-1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butyl]phenyl}-2-methylpropanoic acid;4-[(1R)-1-Hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-alpha,alpha-dimethyl-benzeneacetic Aci

Chemical Property of (R)-Fexofenadine

Chemical Property:

• Melting Point: 141-143°C
• Boiling Point: 697.3±55.0 °C(Predicted)
• PKA: 4.43±0.10(Predicted)
• PSA: 81.00000
• Density: 1.171±0.06 g/cm3(Predicted)
• LogP: 5.44840
• Storage Temp.: Refrigerator, Under Inert Atmosphere
• Solubility.: Chloroform (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly)
• XLogP3: 3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 501.28790873
• Heavy Atom Count: 37
• Complexity: 678

Purity/Quality:

99% ^*data from raw suppliers

(R)-Fexofenadine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical 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
• Isomeric SMILES: CC(C)(C1=CC=C(C=C1)[C@@H](CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O
• Uses: A metabolite of of terfenadine, a H1-Histamine receptor antagonist The active metabolite of Terfenadine (T114500), a H1-histamine receptor antagonist.