| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2031255-23-7 |
| Catalog No. | 2A-1195807 |
| Chinese Name | Ibrutinib dimer |
| Molecular Formula | C50H48O4N12 |
| Molecular Weight | 881.01 |
| Purity | 98.00 |
| Storage Condition | room temperature |
| Application | Ibrutinib dimer is the dimer of Ibrutinib. Ibrutinib dimer is an impurity in Ibrutinib. Ibrutinib is an irreversible and selective Btk inhibitor with an IC50 of 0.5 nM. |
| PubChem ID | 237773481 |
| MDL Number | MFCD32640314 |
| SMILES | C=CC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(NCCC(=O)N4CCCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)ncnc32)C1 |
| InChI | InChI=1S/C50H48N12O4/c1-2-41(63)59-27-9-11-35(29-59)62-50-44(46(58-62)34-19-23-40(24-20-34)66-38-15-7-4-8-16-38)48(54-32-56-50)52-26-25-42(64)60-28-10-12-36(30-60)61-49-43(47(51)53-31-55-49)45(57-61)33-17-21-39(22-18-33)65-37-13-5-3-6-14-37/h2-8,13-24,31-32,35-36H,1,9-12,25-30H2,(H2,51,53,55)(H,52,54,56)/t35-,36-/m1/s1 |
| InChI Key | PPDQAMODZKHBII-LQFQNGICSA-N |
| MSDS | msds/197532_1_2031255_23_7.pdf |
| Transport Info | Product name: 1-((R)-3-(4-((3-((R)-3-(4-amino-3-(4-phenoxyphenyl))-1H-pyrazolo[34-d]pyrimidin-1-yl)piperidin-1-yl)- 3oxypropyl)amino)-3-(4-phenoxyphenyl)-1H-pyrazolo[34-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (ibrutinib/ibrutinib impurity) |
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| Efinaconazole Impurity 12 | 2055038-60-1 | 2A-2195571 |
| Efinaconazole Impurity 13 | 2055038-61-2 | 2A-2195572 |
| API Impurity- N-Nitroso Impurity | 2A-2195576 | 2A-2195576 |
| Ibrutinib Impurity 14 | 2417548-76-4 | 2A-1195805 |
| Ibrutinib Impurity 6 | 1987905-93-0 | 2A-1195806 |
| Erythromycin Impurity 9 | 58781-38-7 | 2A-1195808 |
| Eplerenone EP Impurity B | 192704-82-8 | 2A-1195809 |
| Ibrutinib Impurity 27 | 2031255-26-0 | 2A-1195811 |
| 1-Oxo Mirtazapine (Mirtazapine Impurity C) | 191546-96-0 | 2A-1195871 |
| Pyridostigmine Bromide - Impurity B | 31034-86-3 | 2A-1196086 |
| Browse all Analytical Standards products » | ||
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