| CAS Number | 1377838-49-7 |
| Catalog Number | AG00JO2Z |
| Chemical Name | Pomalidomide-d5 |
| IUPAC Name | 4-amino-2-(3,4,4,5,5-pentadeuterio-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione |
| 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)/i4D2,5D2,8D |
| InChI Key | UVSMNLNDYGZFPF-XHNMXOBISA-N |
| Molecular Formula | C13H6D5N3O4 |
| Molecular Weight | 278.2749 |
| SMILES | NC1=C2C(C(N(C3([2H])C(NC(C([2H])([2H])C3([2H])[2H])=O)=O)C2=O)=O)=CC=C1 |
| Synonyms | Pomalidomide-D5,
4-Amino-2-(2,6-dioxo-3-piperidinyl)isoindole-1,3-dione-D5,
1377838-49-7,
Pomalidomide D5,
CS-O-13989,
19171-19-8,
|
| Complexity | 504 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 5 |
| Molecular Weight | 278.279g/mol |
| Monoisotopic Mass | 278.106g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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