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Glafenine Hydrochloride

CAT: 0013-GTR19176517-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176517-01Size:50 mg
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Description
Glafenine hydrochloride is a small molecule anti-inflammatory agent used in research. It has been employed in in vitro studies to investigate inflammatory pathways and in vivo models for assessing analgesic and anti-inflammatory effects.
CAS Number
65513-72-6
Product Name Alternative
ABCG2, inhibit, Inhibitor, Glafenin Hydrochloride, Glafenin hydrochloride, Glafenine, Glafenine Hydrochloride, Glafenin
Field of Research
Cell Biology, Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Purity
98.89% (May vary between batches)
Solubility
DMSO:60 mg/mL (146.61 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.89 mM)
Smiles
Cl.OCC (O) COC (=O) c1ccccc1Nc1ccnc2cc (Cl) ccc12
Molecular Formula
C19H17ClN2O4·HCl
Molecular Weight
409.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Glafenine hydrochloride
CAS Number65513-72-6
PubChem CID3085326
IUPAC Name2,3-dihydroxypropyl 2-[(7-chloroquinolin-4-yl)amino]benzoate;hydrochloride
Molecular FormulaC19H18Cl2N2O4
Molecular Weight409.3
Topological Polar Surface Area91.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity467
SMILES
C1=CC=C(C(=C1)C(=O)OCC(CO)O)NC2=C3C=CC(=CC3=NC=C2)Cl.Cl
InChI
InChI=1S/C19H17ClN2O4.ClH/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23;/h1-9,13,23-24H,10-11H2,(H,21,22);1H
InChIKey
CEUMONXVSJOJIH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Glafenine hydrochloride
CAS: 65513-72-6
CID: 3085326
Formula: C19H18Cl2N2O4
MW: 409.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass408.0643624
Monoisotopic Mass408.0643624
Topological Polar Surface Area91.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity467
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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