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Piroxicam-d3

CAT: 0572-TRC-P510002-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P510002-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
942047-64-5
Synonyms
4-Hydroxy-2-methyl-d3-N-(2-pyridyl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide; Piroxicam-d3
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
[2H]C([2H])([2H])N1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3
Molecular Formula
C15 2H3 H10 N3 O4 S
Molecular Weight
334.36
InChI
InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)/i1D3
Additionnal Information
IUPAC name: 4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2-(trideuteriomethyl)-1λ^{6},2-benzothiazine-3-carboxamide
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-(methyl-d3)-N-2-pyridinyl-, 1,1-dioxide
CAS Number942047-64-5
PubChem CID54684470
IUPAC Name4-hydroxy-1,1-dioxo-N-pyridin-2-yl-2-(trideuteriomethyl)-1lambda6,2-benzothiazine-3-carboxamide
Molecular FormulaC15H13N3O4S
Molecular Weight334.4
XLogP3.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity611
SMILES
[2H]C([2H])([2H])N1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C15H13N3O4S/c1-18-13(15(20)17-12-8-4-5-9-16-12)14(19)10-6-2-3-7-11(10)23(18,21)22/h2-9,19H,1H3,(H,16,17,20)/i1D3
InChIKey
QYSPLQLAKJAUJT-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2H-1,2-Benzothiazine-3-carboxamide, 4-hydroxy-2-(methyl-d3)-N-2-pyridinyl-, 1,1-dioxide
CAS: 942047-64-5
CID: 54684470
Formula: C15H13N3O4S
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass334.08150732
Monoisotopic Mass334.08150732
Topological Polar Surface Area108 Ų
Heavy Atom Count23
Formal Charge0
Complexity611
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

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