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Metrenperone

CAT: 0931-T25806-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25806-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
81043-56-3
Target
Others, Serotonin Transporter, Adrenergic Receptor
Related Pathways
Others, GPCR/G Protein, Neuroscience
Bioactivity
Metrenperone is used as a S (2) -receptor blocker.
Smiles
O=C1N2C(=NC(C)=C1CCN3CCC(C(=O)C4=CC=C(F)C=C4)CC3)C=CC(C)=C2
Molecular Formula
C24H26FN3O2
Molecular Weight
407.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one

Metrenperone is a small molecule drug. The usage of the INN stem '-perone' in the name indicates that Metrenperone is a tranquillizer, neuroleptic, 4'-fluoro-4-piperidinobutyrophenone derivative. Metrenperone has a monoisotopic molecular weight of 407.2 Da.

CAS Number81043-56-3
PubChem CID72005
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC24H26FN3O2
Molecular Weight407.5
XLogP2.7
Topological Polar Surface Area53
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity825
SMILES
CC1=CN2C(=NC(=C(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C)C=C1
InChI
InChI=1S/C24H26FN3O2/c1-16-3-8-22-26-17(2)21(24(30)28(22)15-16)11-14-27-12-9-19(10-13-27)23(29)18-4-6-20(25)7-5-18/h3-8,15,19H,9-14H2,1-2H3
InChIKey
AXQRPYKSPHUOGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-(4-(4-Fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one
CAS: 81043-56-3
CID: 72005
Formula: C24H26FN3O2
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass407.20090524
Monoisotopic Mass407.20090524
Topological Polar Surface Area53 Ų
Heavy Atom Count30
Formal Charge0
Complexity825
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
GTR19198877-01Metrenperone
sc-484554Metrenperone-d4

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