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Ocaperidone

CAT: 0931-T3497-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T3497-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129029-23-8
Target
Dopamine Receptor, 5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9994
Bioactivity
Ocaperidona (Ocaperidone (Ocaperidona) ), a very high affinity dopamine D2 antagonist.
Smiles
Cc1cccn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
Molecular Formula
C24H25FN4O2
Molecular Weight
420.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ocaperidone

Ocaperidone is a pyridopyrimidine.

CAS Number129029-23-8
PubChem CID71351
IUPAC Name3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC24H25FN4O2
Molecular Weight420.5
XLogP3.3
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity856
SMILES
CC1=CC=CN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
InChI
InChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
InChIKey
ZZQNEJILGNNOEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ocaperidone
CAS: 129029-23-8
CID: 71351
Formula: C24H25FN4O2
MW: 420.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass420.19615422
Monoisotopic Mass420.19615422
Topological Polar Surface Area61.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity856
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA5011-10Ocaperidone
HY-101094ROcaperidone (Standard)
A12177-50Ocaperidone 50mg
A12177-25Ocaperidone 25mg
A12177-5Ocaperidone 5mg
A12177-1Ocaperidone 1mg
A12177-10Ocaperidone 10mg
A12177-100Ocaperidone 100mg
A12177-10mM-DOcaperidone 10mM * 1mL in DMSO

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