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Lornoxicam-d4

CAT: 0804-HY-B0367S-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0367S-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lornoxicam-d4 is the deuterium labeled Lornoxicam. Lornoxicam (Chlortenoxicam), a COX-1 and COX-2 inhibitor, is a new nonsteroidal anti-inflammatory agent (NSAID) .
CAS Number
1216527-48-8
Product Name Alternative
Chlortenoxicam-d4; Ro 13-9297-d4
UNSPSC
12352005
Hazard Statement
H301-H312-H330-H410
Target
COX; Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; Others
Field of Research
Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
OC(C1=C2C=C(S1)Cl)=C(C(NC3=C([2H])C([2H])=C([2H])C([2H])=N3)=O)N(C)S2(=O)=O
Molecular Formula
C13H6D4ClN3O4S2
Molecular Weight
375.84
Precautions
P264-P270-P330-P405-P501
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]Spyra S, et al. COX-2-selective inhibitors celecoxib and deracoxib modulate transient receptor potential vanilloid 3 channels. Br J Pharmacol. 2017 Aug;174 (16) :2696-2705.|[3]Rose, P. and C. Steinhauser, Comparison of Lornoxicam and Rofecoxib in Patients with Activated Osteoarthritis (COLOR Study) . Clin Drug Investig, 2004. 24 (4) : p. 227-36.|[4]Bianchi, M. and A.E. Panerai, Effects of lornoxicam, piroxicam, and meloxicam in a model of thermal hindpaw hyperalgesia induced by formalin injection in rat tail. Pharmacol Res, 2002. 45 (2) : p. 101-5.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Lornoxicam-d4
CAS Number1216527-48-8
PubChem CID71749841
IUPAC Name6-chloro-4-hydroxy-2-methyl-1,1-dioxo-N-(3,4,5,6-tetradeuterio-2-pyridinyl)thieno[2,3-e]thiazine-3-carboxamide
Molecular FormulaC13H10ClN3O4S2
Molecular Weight375.8
XLogP2.1
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity634
SMILES
[2H]C1=C(C(=NC(=C1[2H])NC(=O)C2=C(C3=C(C=C(S3)Cl)S(=O)(=O)N2C)O)[2H])[2H]
InChI
InChI=1S/C13H10ClN3O4S2/c1-17-10(13(19)16-9-4-2-3-5-15-9)11(18)12-7(23(17,20)21)6-8(14)22-12/h2-6,18H,1H3,(H,15,16,19)/i2D,3D,4D,5D
InChIKey
WLHQHAUOOXYABV-QFFDRWTDSA-N
Chemical Structure
2D Structure
2D structure of Lornoxicam-d4
CAS: 1216527-48-8
CID: 71749841
Formula: C13H10ClN3O4S2
MW: 375.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.8
XLogP32.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass375.0052328
Monoisotopic Mass375.0052328
Topological Polar Surface Area136 Ų
Heavy Atom Count23
Formal Charge0
Complexity634
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

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