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Fexofenadine-d10

CAT: 1596-AR-F01395-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01395-01Size:10 Units
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CAS Number
1215900-18-7
Synonyms
2- (4- (1-hydroxy-4- (4- (hydroxydiphenylmethyl) piperidin-1-yl) butyl) phenyl) -2-methylpropanoic acid-D10
Molecular Formula
C32H29NO4D10
Molecular Weight
511.73
API Name
Fexofenadine

Chemical Information

Fexofenadine-d10
CAS Number1215900-18-7
PubChem CID45358982
IUPAC Name2-[4-[1-hydroxy-4-[4-[hydroxy-bis(2,3,4,5,6-pentadeuteriophenyl)methyl]piperidin-1-yl]butyl]phenyl]-2-methylpropanoic acid
Molecular FormulaC32H39NO4
Molecular Weight511.7
XLogP3
Topological Polar Surface Area81
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity678
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C2CCN(CC2)CCCC(C3=CC=C(C=C3)C(C)(C)C(=O)O)O)(C4=C(C(=C(C(=C4[2H])[2H])[2H])[2H])[2H])O)[2H])[2H]
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)/i3D,4D,5D,6D,7D,8D,10D,11D,12D,13D
InChIKey
RWTNPBWLLIMQHL-ZKZWDRQZSA-N
Chemical Structure
2D Structure
2D structure of Fexofenadine-d10
CAS: 1215900-18-7
CID: 45358982
Formula: C32H39NO4
MW: 511.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight511.7
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass511.35067618
Monoisotopic Mass511.35067618
Topological Polar Surface Area81 Ų
Heavy Atom Count37
Formal Charge0
Complexity678
Isotope Atom Count10
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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4102091-Oxo Fexofenadine-d10 Methyl Ester
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