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Etoricoxib-d3

CAT: 1596-AR-E02175-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E02175-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
850896-71-8
Synonyms
5-chloro-6'-methyl-3- (4- (methylsulfonyl) phenyl) -2,3'-bipyridine-D3; 5-Chloro-6'-methyl-3-[4- (methylsulfonyl) phenyl]-2,3'-bipyridine-d3; Algix-d3; Arcoxia-d3; Etobrix-d3; Etocox-d3; Etoxib-d3; Etropain-d3; Kingcox-d3; MK 0663-d3; MK 663-d3; Tauxib-d3; Torcoxia-d3
Molecular Formula
C18H12ClN2O2SD3
Molecular Weight
361.87
API Name
Etoricoxib

Chemical Information

Etoricoxib-d3
CAS Number850896-71-8
PubChem CID11772850
IUPAC Name5-chloro-2-(6-methyl-3-pyridinyl)-3-[4-(trideuteriomethylsulfonyl)phenyl]pyridine
Molecular FormulaC18H15ClN2O2S
Molecular Weight361.9
XLogP3.3
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity514
SMILES
[2H]C([2H])([2H])S(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=C(C=C3)C
InChI
InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3/i2D3
InChIKey
MNJVRJDLRVPLFE-BMSJAHLVSA-N
Chemical Structure
2D Structure
2D structure of Etoricoxib-d3
CAS: 850896-71-8
CID: 11772850
Formula: C18H15ClN2O2S
MW: 361.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.9
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass361.0731068
Monoisotopic Mass361.0731068
Topological Polar Surface Area68.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity514
Isotope Atom Count3
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-E10819-01Etoricoxib-13C-d3
AR-E02176-01Etoricoxib-13C-d3
AR-E11389-01Etoricoxib
AR-E11053-01Etoricoxib-D4
AR-E02205-01Deschloro Etoricoxib
AR-E02190-01Desmethyl Etoricoxib
AR-E08832-01Etoricoxib-d6
AR-E02189-01Etoricoxib Impurity 10
AR-E02181-01Etoricoxib Impurity 4
AR-E02213-01Etoricoxib Impurity 34

Alternative Products

CatalogName
CS-O-15694Etoricoxib-d3
CS-O-62373Etoricoxib-d3 (Methyl-d3)
HY-15321S1-01Etoricoxib-13C, d3
TRC-E934104-50MGEtoricoxib-13C,d3
CS-T-103897Deschloro Etoricoxib-d3
A3405-5.1Etoricoxib

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