| CAS Number | 1799711-25-3 |
| Catalog Number | AG01EO9L(AGN-PC-3H46BF) |
| Chemical Name | Thalidomide-O-amido-C4-NH2 TFA |
| IUPAC Name | N-(4-aminobutyl)-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C19H22N4O6.C2HF3O2/c20-8-1-2-9-21-15(25)10-29-13-5-3-4-11-16(13)19(28)23(18(11)27)12-6-7-14(24)22-17(12)26;3-2(4,5)1(6)7/h3-5,12H,1-2,6-10,20H2,(H,21,25)(H,22,24,26);(H,6,7) |
| InChI Key | XVUPBWSTMLHSHM-UHFFFAOYSA-N |
| MDL Number | MFCD31560484 |
| Molecular Formula | C21H23F3N4O8 |
| Molecular Weight | 516.4245 |
| SMILES | O=C(NCCCCN)COC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O.O=C(O)C(F)(F)F |
| Synonyms | E3 ligase Ligand-Linker Conjugates 16,
1799711-25-3,
E3 ligase Ligand-Linker Conjugates 19 (TFA),
SCHEMBL17839640,
CS-7755,
HY-103613,
|
| Complexity | 780 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 516.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 516.43g/mol |
| Monoisotopic Mass | 516.147g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 185A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number