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Hydroxy Lenalidomide

CAT: 0013-GTR19232466Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232466Size:1 mg
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Description
Hydroxy lenalidomide is the primary active metabolite of the anticancer drug lenalidomide. It is a key compound for research into the pharmacology and mechanism of action of its parent drug in both in vitro and in vivo experimental models.
CAS Number
1421593-78-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=C1N (CC=2C1=CC=C (O) C2N) C3C (=O) NC (=O) CC3
Molecular Formula
C13H13N3O4
Molecular Weight
275.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Hydroxy Lenalidomide
CAS Number1421593-78-3
PubChem CID91224064
IUPAC Name3-(7-amino-6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular FormulaC13H13N3O4
Molecular Weight275.26
XLogP-0.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity467
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3N)O
InChI
InChI=1S/C13H13N3O4/c14-11-7-5-16(8-2-4-10(18)15-12(8)19)13(20)6(7)1-3-9(11)17/h1,3,8,17H,2,4-5,14H2,(H,15,18,19)
InChIKey
XHIRLGUOUTXTHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Hydroxy Lenalidomide
CAS: 1421593-78-3
CID: 91224064
Formula: C13H13N3O4
MW: 275.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight275.26
XLogP3-0.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass275.09060590
Monoisotopic Mass275.09060590
Topological Polar Surface Area113 Ų
Heavy Atom Count20
Formal Charge0
Complexity467
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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