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FEXOFENADINE-D6

CAS No.:
548783-71-7
Catalog Number:
AG00DB8K
Molecular Formula:
C32H33D6NO4
Molecular Weight:
507.6933
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Product Description
Catalog Number:
AG00DB8K
Chemical Name:
FEXOFENADINE-D6
CAS Number:
548783-71-7
Molecular Formula:
C32H33D6NO4
Molecular Weight:
507.6933
MDL Number:
MFCD02683329
IUPAC Name:
3,3,3-trideuterio-2-[4-[1-hydroxy-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-(trideuteriomethyl)propanoic acid
InChI:
InChI=1S/C32H39NO4/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)/i1D3,2D3
InChI Key:
RWTNPBWLLIMQHL-WFGJKAKNSA-N
SMILES:
OC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])c1ccc(cc1)C(CCCN1CCC(CC1)C(c1ccccc1)(c1ccccc1)O)O
Properties
Complexity:
678  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
507.326g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
6  
Molecular Weight:
507.704g/mol
Monoisotopic Mass:
507.326g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
81A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties