Pomalidomide Impurity 25

CAT: 1299-RM-P131251-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P131251-02Size:25 mg

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CAS Number

1957236-34-8

Synonyms

4- ((4-aminobutyl) amino) -2- (2,6-dioxopiperidin-3-yl) isoindoline-1,3-dione

Molecular Formula

C17H20N4O4

Molecular Weight

344.37

Target Alternative Name

Pomalidomide

Product Name Synonym

4- ((4-aminobutyl) amino) -2- (2,6-dioxopiperidin-3-yl) isoindoline-1,3-dione

Chemical Information

Pomalidomide-C4-NH2

CAS Number	1957236-34-8
PubChem CID	121439728
IUPAC Name	4-(4-aminobutylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Formula	C17H20N4O4
Molecular Weight	344.4
XLogP	0.6
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	25
Formal Charge	0
Complexity	579

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCCCN

InChI

InChI=1S/C17H20N4O4/c18-8-1-2-9-19-11-5-3-4-10-14(11)17(25)21(16(10)24)12-6-7-13(22)20-15(12)23/h3-5,12,19H,1-2,6-9,18H2,(H,20,22,23)

InChIKey

KMGOFKGAYSFPGS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1957236-34-8

CID: 121439728

Formula: C17H20N4O4

MW: 344.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.4
XLogP3	0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	344.14845513
Monoisotopic Mass	344.14845513
Topological Polar Surface Area	122 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	579
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