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CP-809101 hydrochloride

CAT: 0931-T10871-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T10871-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1215721-40-6
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.995
Bioactivity
CP-809101 hydrochloride is a potent and selective 5-HT2C receptor agonist with pEC50 values of 9.96 for human 5-HT2C, 7.19 for 5-HT2B, and 6.81 for 5-HT2A receptors.
Smiles
Cl.Clc1cccc(COc2cncc(n2)N2CCNCC2)c1
Molecular Formula
C15H18Cl2N4O
Molecular Weight
341.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CP-809,101 fumarate
CAS Number1215721-40-6
PubChem CID56972220
IUPAC Name2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine;hydrochloride
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.2
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity314
SMILES
C1CN(CCN1)C2=CN=CC(=N2)OCC3=CC(=CC=C3)Cl.Cl
InChI
InChI=1S/C15H17ClN4O.ClH/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20;/h1-3,8-10,17H,4-7,11H2;1H
InChIKey
NMUNRTCTDLORDR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CP-809,101 fumarate
CAS: 1215721-40-6
CID: 56972220
Formula: C15H18Cl2N4O
MW: 341.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass340.0857666
Monoisotopic Mass340.0857666
Topological Polar Surface Area50.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity314
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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