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Onfasprodil

CAT: 0013-GTR19187234-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187234-01Size:25 mg
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Description
Onfasprodil is a negative allosteric modulator of the NMDA receptor subunit NR2B, investigated for Alzheimer's disease research. It has been utilized in both in vitro and in vivo experimental models to study synaptic function and cognitive deficits associated with neurodegenerative pathways.
CAS Number
1892581-29-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O ([C@@H]1C[C@@]2 ([C@] (C1) (CN (C[C@H] (O) C3=CC=C (O) C=N3) C2) [H]) [H]) C4=C (F) C=CC=C4
Molecular Formula
C20H23FN2O3
Molecular Weight
358.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mij821
CAS Number1892581-29-1
PubChem CID118981713
IUPAC Name6-[(1S)-2-[(3aR,6aS)-5-(2-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]pyridin-3-ol
Molecular FormulaC20H23FN2O3
Molecular Weight358.4
XLogP2.3
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity454
SMILES
C1[C@@H]2CN(C[C@@H]2CC1OC3=CC=CC=C3F)C[C@@H](C4=NC=C(C=C4)O)O
InChI
InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16?,19-/m0/s1
InChIKey
NEFQLCKWVRZEJA-ZWVKXQFTSA-N
Chemical Structure
2D Structure
2D structure of Mij821
CAS: 1892581-29-1
CID: 118981713
Formula: C20H23FN2O3
MW: 358.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass358.16927076
Monoisotopic Mass358.16927076
Topological Polar Surface Area65.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5804023Onfasprodil

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