![(R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one structure, CAS 1839099-22-7](/structures/210000/186127_1_1839099_22_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1839099-22-7 |
| Catalog No. | 2A-3184853 |
| Chinese Name | 依鲁替尼杂质11 |
| Synonyms | 1-{(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl}-1-propanone |
| Molecular Formula | C25H26O2N6 |
| Molecular Weight | 442.52 |
| Density | 1.4±0.1 g/cm3 |
| Boiling Point | 697.4±55.0 °C at 760 mmHg |
| Storage Condition | 2-8°C |
| PubChem ID | 175613789 |
| MDL Number | MFCD28969691 |
| SMILES | CCC(=O)N1CCCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 |
| InChI | InChI=1S/C25H26N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h3-5,8-13,16,18H,2,6-7,14-15H2,1H3,(H2,26,27,28)/t18-/m1/s1 |
| InChI Key | ROGRQCNRPWIQJN-UHFFFAOYSA-N |
| Transport Info | Product name: (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[34-d]pyrimidin-1-yl)piperidin-1-yl)propan-1-one (ibrutinib/ibrutinib impurity) |
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