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Ketorolac hydrochloride

CAT: 0013-GTR19238849-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238849-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ketorolac hydrochloride (RS37619) is a potent non-selective COX inhibitor with IC50 values of 20 nM (COX-1) and 120 nM (COX-2), used in ophthalmic research for inflammation and pain. It also acts as a DDX3 inhibitor, making it a compound of interest for in vitro cancer therapy studies.
CAS Number
218934-99-7
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.O=C (O) C1C2=CC=C (C (=O) C=3C=CC=CC3) N2CC1
Molecular Formula
C15H14ClNO3
Molecular Weight
291.73
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid hydrochloride
CAS Number218934-99-7
PubChem CID90112320
IUPAC Name5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;hydrochloride
Molecular FormulaC15H14ClNO3
Molecular Weight291.73
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity376
SMILES
C1CN2C(=CC=C2C(=O)C3=CC=CC=C3)C1C(=O)O.Cl
InChI
InChI=1S/C15H13NO3.ClH/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);1H
InChIKey
FVKZITFPJNNADX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid hydrochloride
CAS: 218934-99-7
CID: 90112320
Formula: C15H14ClNO3
MW: 291.73
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.73
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass291.0662210
Monoisotopic Mass291.0662210
Topological Polar Surface Area59.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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