Lenalidomide Impurity 44

CAT: 1299-RM-L141244-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141244-01Size:10 mg

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CAS Number

2717380-87-3

Synonyms

3- (4- (hydroxyamino) -1-oxoisoindolin-2-yl) piperidine-2,6-dione

Molecular Formula

C13H13N3O4

Molecular Weight

275.26

Target Alternative Name

Lenalidomide

Product Name Synonym

3- (4- (hydroxyamino) -1-oxoisoindolin-2-yl) piperidine-2,6-dione

Chemical Information

N-Hydroxy Lenalidomide

CAS Number	2717380-87-3
PubChem CID	58765566
IUPAC Name	3-[7-(hydroxyamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
Molecular Formula	C13H13N3O4
Molecular Weight	275.26
XLogP	-0.3
Topological Polar Surface Area	98.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	453

SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3NO

InChI

InChI=1S/C13H13N3O4/c17-11-5-4-10(12(18)14-11)16-6-8-7(13(16)19)2-1-3-9(8)15-20/h1-3,10,15,20H,4-6H2,(H,14,17,18)

InChIKey

CRMXQCBHXQNSKU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2717380-87-3

CID: 58765566

Formula: C13H13N3O4

MW: 275.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	275.26
XLogP3	-0.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	275.09060590
Monoisotopic Mass	275.09060590
Topological Polar Surface Area	98.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	453
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