Lenalidomide Impurity 42

CAT: 1596-AR-L06717-03Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-L06717-03Size:50 Units

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CAS Number

1063995-49-2

Molecular Formula

C13H11N3O5

Molecular Weight

289.25

API Name

Lenalidomide

Chemical Information

1-Oxo-2-(2,6-dioxopiperidin-3-yl)-6-nitroisoindoline

CAS Number	1063995-49-2
PubChem CID	21928265
IUPAC Name	3-(5-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
Molecular Formula	C13H11N3O5
Molecular Weight	289.24
XLogP	0
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	514

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H11N3O5/c17-11-4-3-10(12(18)14-11)15-6-7-1-2-8(16(20)21)5-9(7)13(15)19/h1-2,5,10H,3-4,6H2,(H,14,17,18)

InChIKey

XUHHLYHISZFASD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1063995-49-2

CID: 21928265

Formula: C13H11N3O5

MW: 289.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	289.24
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	289.06987046
Monoisotopic Mass	289.06987046
Topological Polar Surface Area	112 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	514
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes