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CGP 65015

CAT: 0931-T13607-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T13607-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
189564-33-8
Target
Others, Ferroptosis
Related Pathways
Apoptosis, Others
Bioactivity
CGP 65015 is an oral iron chelator that mobilizes iron deposits.
Smiles
C(O)(C=1N(CCO)C=CC(=O)C1O)C2=CC=CC=C2
Molecular Formula
C14H15NO4
Molecular Weight
261.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one
CAS Number189564-33-8
PubChem CID10220846
IUPAC Name3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one
Molecular FormulaC14H15NO4
Molecular Weight261.27
XLogP0.8
Topological Polar Surface Area81
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity396
SMILES
C1=CC=C(C=C1)C(C2=C(C(=O)C=CN2CCO)O)O
InChI
InChI=1S/C14H15NO4/c16-9-8-15-7-6-11(17)14(19)12(15)13(18)10-4-2-1-3-5-10/h1-7,13,16,18-19H,8-9H2
InChIKey
ZMDGUPJAPMSCIZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one
CAS: 189564-33-8
CID: 10220846
Formula: C14H15NO4
MW: 261.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight261.27
XLogP30.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass261.10010796
Monoisotopic Mass261.10010796
Topological Polar Surface Area81 Ų
Heavy Atom Count19
Formal Charge0
Complexity396
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