Marvin  02011209392D          

 19 21  0  0  0  0            999 V2000
    7.3860   -5.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3860   -6.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1004   -6.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8150   -6.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8150   -5.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1004   -5.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5997   -6.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0845   -6.0073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5997   -5.3399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8923   -6.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8537   -7.4566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1004   -4.3574    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048   -6.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298   -6.7218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5423   -6.0073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1298   -5.2928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3048   -5.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8979   -4.5884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3674   -6.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  8 10  1  0  0  0  0
  7 11  2  0  0  0  0
  6 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 10 17  1  0  0  0  0
 17 18  2  0  0  0  0
 15 19  2  0  0  0  0
M  END
> <ID>
CHEBI:63791

> <NAME>
lenalidomide

> <DEFINITION>
A dicarboximide that consists of 1-oxoisoindoline bearing an amino substituent at position 4 and a 2,6-dioxopiperidin-3-yl group at position 2. Inhibits the secretion of TNF-α.

> <STAR>
3

> <SYNONYM>
3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione; 1-oxo-2-(2,6-dioxopiperidin-3-yl)-4-aminoisoindoline

> <IUPAC_NAME>
3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione

> <INN>
lenalidomide

> <BRAND_NAME>
Revlimid

> <FORMULA>
C13H13N3O3

> <MASS>
259.26060

> <MONOISOTOPIC_MASS>
259.09569

> <CHARGE>
0

> <SMILES>
Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O

> <INCHI>
InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)

> <INCHIKEY>
GOTYRUGSSMKFNF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
191732-72-6

> <REAXYS_REGISTRY_NUMBER>
8335210

> <CHEMIDPLUS>
191732-72-6

> <DRUGBANK_ACCESSION>
DB00480

> <KEGG_DRUG_ACCESSION>
D04687

> <LINCS_ACCESSION>
LSM-6187

> <WIKIPEDIA_ACCESSION>
Lenalidomide

> <PUBMED_CITATION>
21533608; 21823830; 21835953; 22001752; 22066855; 22107129; 22143062; 22211836; 22241792; 22245427; 22245805; 22245806; 22246035; 22253550; 22261445

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