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Pomalidomide-d4

CAT: 1596-AR-P02321-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P02321-03Size:50 Units
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CAS Number
1416575-78-4
Synonyms
4-amino-2- (2,6-dioxopiperidin-3-yl) isoindoline-1,3-dione-D4; 4-Amino-2- (2,6-dioxo-3-piperidinyl) isoindole-1,3-dione-d4; 4-Amino-2- (2,6-dioxo-3-piperidyl) isoindoline-1,3-dione-d4; Actimid-d4; CC 4047-d4; IMiD 3-d4
Molecular Formula
C13H7N3O4D4
Molecular Weight
277.27
API Name
Pomalidomide

Chemical Information

Pomalidomide-d4
CAS Number1416575-78-4
PubChem CID57388149
IUPAC Name4-amino-2-(4,4,5,5-tetradeuterio-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
Molecular FormulaC13H11N3O4
Molecular Weight277.27
XLogP0.2
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity504
SMILES
[2H]C1(C(C(=O)NC(=O)C1([2H])[2H])N2C(=O)C3=C(C2=O)C(=CC=C3)N)[2H]
InChI
InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/i4D2,5D2
InChIKey
UVSMNLNDYGZFPF-CQOLUAMGSA-N
Chemical Structure
2D Structure
2D structure of Pomalidomide-d4
CAS: 1416575-78-4
CID: 57388149
Formula: C13H11N3O4
MW: 277.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.27
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass277.10006282
Monoisotopic Mass277.10006282
Topological Polar Surface Area110 Ų
Heavy Atom Count20
Formal Charge0
Complexity504
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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