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Ketorolac-d4

CAT: 0804-HY-B0580S1-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0580S1-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ketorolac-d4 (RS37619 D4) is the deuterium labeled Ketorolac. Ketorolac is a non-steroidal anti-inflammatory agent, acting as a nonselective COX inhibitor, with IC50s of 20 nM for COX-1 and 120 nM for COX-2[1][2].
CAS Number
1216451-53-4
UNSPSC
12352005
Target
COX; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Immunology/Inflammation; Others
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=CC=C1)C2=CC=C3N2C([2H])([2H])C([2H])([2H])C3C(O)=O
Molecular Formula
C15H9D4NO3
Molecular Weight
259.29
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Waterbury LD, et al. Comparison of cyclooxygenase inhibitory activity and ocular anti-inflammatory effects of ketorolac tromethamine and bromfenac sodium. Curr Med Res Opin. 2006 Jun;22 (6) :1133-40.|[3]Fracon RN, et al. Treatment with paracetamol, ketorolac or etoricoxib did not hinder alveolar bone healing: a histometric study in rats. J Appl Oral Sci. 2010 Dec;18 (6) :630-4.|[4]Hsieh YC, et al. Intrathecal ketorolac pretreatment reduced spinal cord ischemic injury in rats. Anesth Analg. 2005 Apr;100 (4) :1134-9.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

rac Ketorolac-d4
CAS Number1216451-53-4
PubChem CID46782030
IUPAC Name5-benzoyl-2,2,3,3-tetradeuterio-1H-pyrrolizine-1-carboxylic acid
Molecular FormulaC15H13NO3
Molecular Weight259.29
XLogP1.9
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity376
SMILES
[2H]C1(C(C2=CC=C(N2C1([2H])[2H])C(=O)C3=CC=CC=C3)C(=O)O)[2H]
InChI
InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/i8D2,9D2
InChIKey
OZWKMVRBQXNZKK-LZMSFWOYSA-N
Chemical Structure
2D Structure
2D structure of rac Ketorolac-d4
CAS: 1216451-53-4
CID: 46782030
Formula: C15H13NO3
MW: 259.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.29
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass259.114650260
Monoisotopic Mass259.114650260
Topological Polar Surface Area59.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity376
Isotope Atom Count4
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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sc-219846Rac Ketorolac-d4
TRC-K235602-10MGrac Ketorolac-d4 (>90%)
TRC-D289437-25MG1-Descarboxy Ketorolac-d4
CS-T-780424-Hydroxy Ketorolac-d4
281130-01Ketorolac

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