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L-Ibotenic acid

CAT: 0013-GTR19224489-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19224489-01Size:100 mg
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Description
L-Ibotenic acid is a conformationally-restricted glutamate analog and non-selective glutamate receptor agonist, naturally occurring in Amanita muscaria mushrooms. It is widely used in neuroscience research as a potent neuroexcitatory tool for in vitro and in vivo studies of glutamatergic signaling, neuronal excitotoxicity, and synaptic function.
CAS Number
25690-45-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] (C (O) =O) (N) C=1ONC (=O) C1
Molecular Formula
C5H6N2O4
Molecular Weight
158.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(S)-2-amino-2-(3-oxo-2,3-dihydroisoxazol-5-yl)acetic acid
CAS Number25690-45-3
PubChem CID6603885
IUPAC Name(2S)-2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
Molecular FormulaC5H6N2O4
Molecular Weight158.11
XLogP-3.9
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity235
SMILES
C1=C(ONC1=O)[C@@H](C(=O)O)N
InChI
InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)/t4-/m0/s1
InChIKey
IRJCBFDCFXCWGO-BYPYZUCNSA-N
Chemical Structure
2D Structure
2D structure of (S)-2-amino-2-(3-oxo-2,3-dihydroisoxazol-5-yl)acetic acid
CAS: 25690-45-3
CID: 6603885
Formula: C5H6N2O4
MW: 158.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight158.11
XLogP3-3.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass158.03275668
Monoisotopic Mass158.03275668
Topological Polar Surface Area102 Ų
Heavy Atom Count11
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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