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WAY-213613 hydrochloride

CAT: 1410-M26506-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M26506-01Size:5 mg
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Description
WAY-213613 hydrochloride is a selective nonsubstrate reuptake GLT-1/EAAT2 inhibitor (IC50: 85 nM, EAAT2) .
CAS Number
2450268-84-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
451.65
Molecular Formula
C16H14BrClF2N2O4
Notes
Research use only, not for human use.
Receptor
Cleavable

Chemical Information

WAY-213613 hydrochloride
CAS Number2450268-84-3
PubChem CID139290995
IUPAC Name(2S)-2-amino-4-[4-(2-bromo-4,5-difluorophenoxy)anilino]-4-oxobutanoic acid;hydrochloride
Molecular FormulaC16H14BrClF2N2O4
Molecular Weight451.6
Topological Polar Surface Area102
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity477
SMILES
C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)O)N)OC2=CC(=C(C=C2Br)F)F.Cl
InChI
InChI=1S/C16H13BrF2N2O4.ClH/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24;/h1-6,13H,7,20H2,(H,21,22)(H,23,24);1H/t13-;/m0./s1
InChIKey
IBCWXGJQAQXHPZ-ZOWNYOTGSA-N
Chemical Structure
2D Structure
2D structure of WAY-213613 hydrochloride
CAS: 2450268-84-3
CID: 139290995
Formula: C16H14BrClF2N2O4
MW: 451.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass449.97935
Monoisotopic Mass449.97935
Topological Polar Surface Area102 Ų
Heavy Atom Count26
Formal Charge0
Complexity477
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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