4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-alpha,alpha-dimethylbenzeneacetic acid

Base Information

• Chemical Name: 4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-alpha,alpha-dimethylbenzeneacetic acid
• CAS No.: 832088-68-3
• Molecular Formula: C32H35NO3
• Molecular Weight: 481.635
• European Community (EC) Number: 617-452-5
• DSSTox Substance ID: DTXSID701020105
• Mol file: 832088-68-3.mol

Synonyms:832088-68-3;4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-alpha,alpha-dimethylbenzeneacetic acid;2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]but-1-ynyl]phenyl]-2-methylpropanoic acid;4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-alpha,alpha-dimethyl-benzeneacetic acid;SCHEMBL5821689;LNQJRLLXDQRHIW-UHFFFAOYSA-N;DTXSID701020105;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-?,?-dimethyl-benzeneacetic Acid;4-[4-[4-[Hydroxydiphenylmethyl]-1-piperidinyl]-1-butynil]-alpha,alpha-dimethyl benzene acetic acid;EC 462-560-6;4-(4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-a,a-dimethylbenzeneacetic acid;4-[4-[4-(HydroxydiphenylMethyl)-1-piperidinyl]-1-butyn-1-yl]-,-diMethyl-benzeneacetic Acid;hydroxydiphenylmethyl)piperidin-1-yl]but-1-yn-1-yl}phenyl)-2-methylpropanoicacid;2-(4-(4-(4-(Hydroxy(diphenyl)methyl)-1-piperidinyl)-1-butyn-1-yl)phenyl)-2-methylpropanoic acid;4-(4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)- .alpha.,.alpha.-dimethylbenzeneacetic acid;4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-|A,|A-dimethyl-benzeneacetic Acid

Chemical Property of 4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-butynyl)-alpha,alpha-dimethylbenzeneacetic acid

Chemical Property:

• Vapor Pressure: 0Pa at 25℃
• PSA: 60.77000
• Density: 0.97[at 20℃]
• LogP: 5.37640
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 481.26169398
• Heavy Atom Count: 36
• Complexity: 746

Purity/Quality:

98.0%Min ^*data from raw suppliers

4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-α,α-dimethyl-benzeneaceticAcid ^*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)C(=O)O
• Uses: 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-butyn-1-yl]-α,α-dimethyl-benzeneacetic Acid is an impurity of Fexofenadine (F322470), an active metabolite of Terfenadine (T114500) which is a H1-histamine receptor antagonist.