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Acitemate

CAT: 0931-T68030-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T68030-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
64405-40-9
Target
Others
Related Pathways
Others
Purity
0.9923
Bioactivity
Acitemate (Chinoin 123) has an inhibitory effect on atherosclerosis and reduces the permeability of the aorta in rabbits fed a hyperlipidemic diet, which can be used to study atherosclerosis.
Smiles
C(C(O)=O)C1C=2N(C(=O)C(C(OCC)=O)=CN2)C(C)CC1
Molecular Formula
C14H18N2O5
Molecular Weight
294.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chinoin 123
CAS Number64405-40-9
PubChem CID174050
IUPAC Name2-(3-ethoxycarbonyl-6-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl)acetic acid
Molecular FormulaC14H18N2O5
Molecular Weight294.30
XLogP0.2
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity537
SMILES
CCOC(=O)C1=CN=C2C(CCC(N2C1=O)C)CC(=O)O
InChI
InChI=1S/C14H18N2O5/c1-3-21-14(20)10-7-15-12-9(6-11(17)18)5-4-8(2)16(12)13(10)19/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKey
IRGLQUMAHASUTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chinoin 123
CAS: 64405-40-9
CID: 174050
Formula: C14H18N2O5
MW: 294.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.30
XLogP30.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass294.12157168
Monoisotopic Mass294.12157168
Topological Polar Surface Area96.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19213794-01Acitemate

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