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Leflunomide-d4

CAT: 1596-AR-L01294-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01294-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1189987-23-2
Synonyms
5-methyl-N- (4- (trifluoromethyl) phenyl) isoxazole-4-carboxamide-D4;5-Methylisoxazole-4-[4-trifluoromethylcarboxanilide]-d4; Leflunomida-d4; 5-Methyl-N-[4- (trifluoromethyl) phenyl]-4-isoxazolecarboxamide-d4; Leflunomidum-d4; Leflunomide-d4
Molecular Formula
C12H5F3N2O2D4
Molecular Weight
274.24
API Name
Leflunomide

Chemical Information

Leflunomide-d4
CAS Number1189987-23-2
PubChem CID45039652
IUPAC Name5-methyl-N-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Molecular FormulaC12H9F3N2O2
Molecular Weight274.23
XLogP2.5
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity327
SMILES
[2H]C1=C(C(=C(C(=C1C(F)(F)F)[2H])[2H])NC(=O)C2=C(ON=C2)C)[2H]
InChI
InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)/i2D,3D,4D,5D
InChIKey
VHOGYURTWQBHIL-QFFDRWTDSA-N
Chemical Structure
2D Structure
2D structure of Leflunomide-d4
CAS: 1189987-23-2
CID: 45039652
Formula: C12H9F3N2O2
MW: 274.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight274.23
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass274.08671900
Monoisotopic Mass274.08671900
Topological Polar Surface Area55.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity327
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-L01293-01Leflunomide
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AR-L06689-01Leflunomide Impurity 10
AR-L06688-01Leflunomide Impurity 9
AR-L01302-01Leflunomide Impurity G
AR-L01297-01Leflunomide Impurity E
AR-L01310-01Leflunomide Impurity 3
AR-L01300-01Leflunomide Impurity D
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Alternative Products

CatalogName
HY-B0083SLeflunomide-d4
RM-L061315-01Leflunomide EP Impurity B-D4 (Teriflunomide-D4)
TMIJ-0227-01Leflunomide EP Impurity B-d4
L1662-92DLeflunomide-d4 (5-Methylisoxazole-4-[4-trifluoromethylcarboxanilide]-d4)
sc-4928285-Hydroxy Leflunomide-d4 (Metabolite M2)
255673Leflunomide

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