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CGP 78608 hydrochloride

CAT: 0127-BUP06790-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06790-01Size:5 mg
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CAS Number
1135278-54-4
Synonyms
PAMQX
Purity
=98%
Smiles
C(N[C@@H](P(=O)(O)O)C)C1=C2C(NC(=O)C(=O)N2)=CC(Br)=C1.Cl

Chemical Information

CGP 78608 hydrochloride

CGP 78608 hydrochloride is a hydrochloride that is the monohydrochloride salt of CGP 78608. Potent and selective NMDA antagonist that acts through the glycine site (IC50 = 5 nM). Displays >500-fold selectivity over kainate and AMPA receptors (IC50 values are 2.7 and 3 M respectively). Anticonvulsant in vivo following systemic administration. It has a role as an anticonvulsant, a prodrug and a NMDA receptor antagonist. It is a conjugate base of a CGP 78608(1+).

CAS Number1135278-54-4
PubChem CID24978530
IUPAC Name[(1S)-1-[(7-bromo-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]ethyl]phosphonic acid;hydrochloride
Molecular FormulaC11H14BrClN3O5P
Molecular Weight414.58
Topological Polar Surface Area128
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity484
SMILES
C[C@@H](NCC1=C2C(=CC(=C1)Br)NC(=O)C(=O)N2)P(=O)(O)O.Cl
InChI
InChI=1S/C11H13BrN3O5P.ClH/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8;/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20);1H/t5-;/m0./s1
InChIKey
MZQQZBPMRPDKTB-JEDNCBNOSA-N
Chemical Structure
2D Structure
2D structure of CGP 78608 hydrochloride
CAS: 1135278-54-4
CID: 24978530
Formula: C11H14BrClN3O5P
MW: 414.58
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.58
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass412.95430
Monoisotopic Mass412.95430
Topological Polar Surface Area128 Ų
Heavy Atom Count22
Formal Charge0
Complexity484
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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