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Kaitocephalin

CAT: 0013-GTR19209993-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209993-02Size:50 mg
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Description
Kaitocephalin is a naturally occurring, non-selective ionotropic glutamate receptor antagonist isolated from the fungus Eupenicillium shearii. It serves as a valuable research tool for studying excitatory neurotransmission and glutamate receptor function in both in vitro and in vivo models of neurological conditions.
CAS Number
198710-92-8
Smiles
[C@@H] ([C@H] (C (O) =O) N) (O) [C@]1 (C (O) =O) N[C@@H] (C[C@H] (NC (=O) C2=CC (Cl) =C (O) C (Cl) =C2) C (O) =O) CC1
Molecular Formula
C18H21Cl2N3O9
Molecular Weight
494.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Kaitocephalin

kaitocephalin has been reported in Penicillium miczynskii with data available.

CAS Number198710-92-8
PubChem CID11329395
IUPAC Name(2R,5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-[(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl]pyrrolidine-2-carboxylic acid
Molecular FormulaC18H21Cl2N3O9
Molecular Weight494.3
XLogP-4.8
Topological Polar Surface Area220
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity745
SMILES
C1C[C@@](N[C@H]1C[C@@H](C(=O)O)NC(=O)C2=CC(=C(C(=C2)Cl)O)Cl)([C@H]([C@H](C(=O)O)N)O)C(=O)O
InChI
InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1
InChIKey
AJQRDRIPQOAJCM-BWOKQULHSA-N
Chemical Structure
2D Structure
2D structure of (-)-Kaitocephalin
CAS: 198710-92-8
CID: 11329395
Formula: C18H21Cl2N3O9
MW: 494.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.3
XLogP3-4.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count9
Exact Mass493.0654846
Monoisotopic Mass493.0654846
Topological Polar Surface Area220 Ų
Heavy Atom Count32
Formal Charge0
Complexity745
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119781Kaitocephalin

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