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Metrazoline

CAT: 0013-GTR19249858-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19249858-01Size:50 mg
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Description
Metrazoline (o-Methyl-tracizoline) is a ligand exhibiting low affinity for adrenergic receptors and higher selectivity for imidazoline I2 receptors. It is utilized in research to study I2 receptor function in models of neuropathic pain and depression, primarily in vitro.
CAS Number
221225-04-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (C (O) =O) (O) =O.C (=C/C=1NCCN1) \C2=C (C) C=CC=C2
Molecular Formula
C14H16N2O4
Molecular Weight
276.288
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Metrazoline oxalate
CAS Number221225-04-3
PubChem CID11957617
IUPAC Name2-[(E)-2-(2-methylphenyl)ethenyl]-4,5-dihydro-1H-imidazole;oxalic acid
Molecular FormulaC14H16N2O4
Molecular Weight276.29
Topological Polar Surface Area99
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity314
SMILES
CC1=CC=CC=C1/C=C/C2=NCCN2.C(=O)(C(=O)O)O
InChI
InChI=1S/C12H14N2.C2H2O4/c1-10-4-2-3-5-11(10)6-7-12-13-8-9-14-12;3-1(4)2(5)6/h2-7H,8-9H2,1H3,(H,13,14);(H,3,4)(H,5,6)/b7-6+;
InChIKey
QDUUQIGHAAEJDO-UHDJGPCESA-N
Chemical Structure
2D Structure
2D structure of Metrazoline oxalate
CAS: 221225-04-3
CID: 11957617
Formula: C14H16N2O4
MW: 276.29
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.29
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass276.11100700
Monoisotopic Mass276.11100700
Topological Polar Surface Area99 Ų
Heavy Atom Count20
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes