Lenalidomide Impurity 47

CAT: 1299-RM-L141247-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L141247-02Size:25 mg

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CAS Number

295357-72-1

Synonyms

2- (4-nitro-1-oxoisoindolin-2-yl) pentanedioic acid

Molecular Formula

C13H12N2O7

Molecular Weight

308.24

Target Alternative Name

Lenalidomide

Product Name Synonym

2- (4-nitro-1-oxoisoindolin-2-yl) pentanedioic acid

Chemical Information

Pentanedioic acid, 2-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-

CAS Number	295357-72-1
PubChem CID	22612815
IUPAC Name	2-(7-nitro-3-oxo-1H-isoindol-2-yl)pentanedioic acid
Molecular Formula	C13H12N2O7
Molecular Weight	308.24
XLogP	0.3
Topological Polar Surface Area	141
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	501

SMILES

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

InChI

InChI=1S/C13H12N2O7/c16-11(17)5-4-10(13(19)20)14-6-8-7(12(14)18)2-1-3-9(8)15(21)22/h1-3,10H,4-6H2,(H,16,17)(H,19,20)

InChIKey

RZPMMKDWVZJPMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 295357-72-1

CID: 22612815

Formula: C13H12N2O7

MW: 308.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	308.24
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	308.06445073
Monoisotopic Mass	308.06445073
Topological Polar Surface Area	141 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	501
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