Pomalidomide Impurity 27

CAT: 1299-RM-P131253-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P131253-02Size:25 mg

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CAS Number

1957236-36-0

Synonyms

4- ((8-aminooctyl) amino) -2- (2,6-dioxopiperidin-3-yl) isoindoline-1,3-dione

Molecular Formula

C21H28N4O4

Molecular Weight

400.48

Target Alternative Name

Pomalidomide

Product Name Synonym

4- ((8-aminooctyl) amino) -2- (2,6-dioxopiperidin-3-yl) isoindoline-1,3-dione

Chemical Information

4-((8-Aminooctyl)amino)-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione

CAS Number	1957236-36-0
PubChem CID	121439737
IUPAC Name	4-(8-aminooctylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular Formula	C21H28N4O4
Molecular Weight	400.5
XLogP	2.4
Topological Polar Surface Area	122
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	29
Formal Charge	0
Complexity	638

SMILES

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

InChI

InChI=1S/C21H28N4O4/c22-12-5-3-1-2-4-6-13-23-15-9-7-8-14-18(15)21(29)25(20(14)28)16-10-11-17(26)24-19(16)27/h7-9,16,23H,1-6,10-13,22H2,(H,24,26,27)

InChIKey

YVIZBYPPHMBVPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1957236-36-0

CID: 121439737

Formula: C21H28N4O4

MW: 400.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	400.5
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	400.21105539
Monoisotopic Mass	400.21105539
Topological Polar Surface Area	122 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	638
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