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Eragidomide

CAT: 0127-BUP02425-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP02425-02Size:5 mg
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CAS Number
1860875-51-9
Synonyms
CC-90009, Cereblon modulator 1
Purity
=95%
Smiles
O=C1N(CC=2C1=CC=C(CNC(C(F)(F)C3=CC=C(Cl)C=C3)=O)C2)C4C(=O)NC(=O)CC4

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
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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

Alternative Products

CatalogName
HY-130800-01Eragidomide

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