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Amfonelic Acid

CAT: 0013-GTR19201179-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201179-03Size:100 mg
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Description
Amfonelic Acid is a selective dopamine reuptake inhibitor used in neuroscience research. It is applied in both in vitro binding assays and in vivo studies to investigate dopaminergic neurotransmission, psychostimulant mechanisms, and related neuropsychiatric disorders.
CAS Number
15180-02-6
Smiles
CCn1cc (C (O) =O) c (=O) c2ccc (Cc3ccccc3) nc12
Molecular Formula
C18H16N2O3
Molecular Weight
308.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Amfonelic Acid

Amfonelic acid is a small molecule drug. Amfonelic acid has a monoisotopic molecular weight of 308.12 Da.

CAS Number15180-02-6
PubChem CID2137
IUPAC Name7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular FormulaC18H16N2O3
Molecular Weight308.3
XLogP3
Topological Polar Surface Area70.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity496
SMILES
CCN1C=C(C(=O)C2=C1N=C(C=C2)CC3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
InChIKey
WHHHJDGNBVQNAU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Amfonelic Acid
CAS: 15180-02-6
CID: 2137
Formula: C18H16N2O3
MW: 308.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass308.11609238
Monoisotopic Mass308.11609238
Topological Polar Surface Area70.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity496
Isotope Atom Count0
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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