Lenalidomide Impurity A

CAT: 1299-RM-L141201-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141201-03Size:50 mg

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CAS Number

1198299-72-7

Synonyms

5-amino-4- (4-nitro-1-oxoisoindolin-2-yl) -5-oxopentanoic acid

Molecular Formula

C13H13N3O6

Molecular Weight

307.26

Target Alternative Name

Lenalidomide

Product Name Synonym

5-amino-4- (4-nitro-1-oxoisoindolin-2-yl) -5-oxopentanoic acid

Chemical Information

5-Amino-4-(4-nitro-1-oxoisoindolin-2-yl)-5-oxopentanoic acid

CAS Number	1198299-72-7
PubChem CID	22612851
IUPAC Name	5-amino-4-(7-nitro-3-oxo-1H-isoindol-2-yl)-5-oxopentanoic acid
Molecular Formula	C13H13N3O6
Molecular Weight	307.26
XLogP	-0.4
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	502

SMILES

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1C(CCC(=O)O)C(=O)N

InChI

InChI=1S/C13H13N3O6/c14-12(19)10(4-5-11(17)18)15-6-8-7(13(15)20)2-1-3-9(8)16(21)22/h1-3,10H,4-6H2,(H2,14,19)(H,17,18)

InChIKey

MUVQMLOEDIDSDJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1198299-72-7

CID: 22612851

Formula: C13H13N3O6

MW: 307.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	307.26
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	307.08043514
Monoisotopic Mass	307.08043514
Topological Polar Surface Area	147 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	502
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

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