CGP 65015 - CAS 189564-33-8
Catalog: |
BB070400 |
Product Name: |
CGP 65015 |
CAS: |
189564-33-8 |
Synonyms: |
3-Hydroxy-1-(2-hydroxyethyl)-2-(hydroxyphenylmethyl)-4(1H)-pyridinone |
IUPAC Name: | 3-hydroxy-1-(2-hydroxyethyl)-2-[hydroxy(phenyl)methyl]pyridin-4-one |
Description: | CGP 65015, is an oral iron chelator, which can mobilize iron deposits. |
Molecular Weight: | 261.27 |
Molecular Formula: | C14H15NO4 |
Canonical 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 |
InChI Key: | ZMDGUPJAPMSCIZ-UHFFFAOYSA-N |
References: | Sergejew T. et al. Br J Haematol. 2000 Sep;110(4):985-92. |
Complexity: | 396 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.10010796 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.10010796 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 81Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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