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CC-90009

CAT: 0013-GTR19176889-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176889-01Size:5 mg
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Description
Eragidomide
CAS Number
1860875-51-9
Product Name Alternative
Eragidomide
Field of Research
Cancer Biology, Immunology & Inflammation, Protein Biochemistry
Purity
>98%
Form
Powder
Solubility
Soluble in DMSO (up to at least 50 mg/ml)
Smiles
O=C1N (CC=2C1=CC=C (CNC (C (F) (F) C3=CC=C (Cl) C=C3) =O) C2) C4C (=O) NC (=O) CC4
Molecular Formula
C22H18ClF2N3O4
Molecular Weight
461.9
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
2- (4-Chlorophenyl) -N-[[2- (2,6-dioxopiperidin-3-yl) -1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide

Chemical Information

Eragidomide

Eragidomide is under investigation in clinical trial NCT04297124 (A Study to Evaluate the Metabolism and Excretion of [14C]-CC-90009 in Healthy Male Subjects).

CAS Number1860875-51-9
PubChem CID118647211
IUPAC Name2-(4-chlorophenyl)-N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-2,2-difluoroacetamide
Molecular FormulaC22H18ClF2N3O4
Molecular Weight461.8
XLogP2.3
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity787
SMILES
C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(C4=CC=C(C=C4)Cl)(F)F
InChI
InChI=1S/C22H18ClF2N3O4/c23-15-4-2-14(3-5-15)22(24,25)21(32)26-10-12-1-6-16-13(9-12)11-28(20(16)31)17-7-8-18(29)27-19(17)30/h1-6,9,17H,7-8,10-11H2,(H,26,32)(H,27,29,30)
InChIKey
PWBHUSLMHZLGRN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eragidomide
CAS: 1860875-51-9
CID: 118647211
Formula: C22H18ClF2N3O4
MW: 461.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.8
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass461.0953901
Monoisotopic Mass461.0953901
Topological Polar Surface Area95.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity787
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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