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Paliperidone impurity 3 (Standard)

CAT: 0804-HY-75260RSize: 1 EachDry Ice: NoHazardous: No
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Description
3-Ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one (Standard) is the analytical standard of 3-Ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one. This product is intended for research and analytical applications.
CAS Number
849903-79-3
UNSPSC
12352005
Target
Reference Standards
Related Pathways
Others
Smiles
O=C1C(CC)=C(C)N=C2N1CCCC2O
Molecular Formula
C11H16N2O2
Molecular Weight
208.26
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one
CAS Number849903-79-3
PubChem CID59592028
IUPAC Name3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Molecular FormulaC11H16N2O2
Molecular Weight208.26
XLogP0.5
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count15
Formal Charge0
Complexity358
SMILES
CCC1=C(N=C2C(CCCN2C1=O)O)C
InChI
InChI=1S/C11H16N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h9,14H,3-6H2,1-2H3
InChIKey
MTOYCHPCXMAGDI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethyl-6,7,8,9-tetrahydro-9-hydroxy-2-methyl-4H-pyrido[1,2-A]pyrimidin-4-one
CAS: 849903-79-3
CID: 59592028
Formula: C11H16N2O2
MW: 208.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.26
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass208.121177757
Monoisotopic Mass208.121177757
Topological Polar Surface Area52.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
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RG-D090607-01Paliperidone Impurity B
RM-P160461-01Paliperidone Impurity 35
RM-P160458-01Paliperidone Impurity 32
RM-P162610-01Paliperidone Impurity 110
RM-P162607-01Paliperidone Impurity 107
RM-P162606-01Paliperidone Impurity 106
RM-P160430-01Paliperidone Impurity 4
RM-P160436-01Paliperidone Impurity 10
RM-P160446-01Paliperidone Impurity 20

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