CAS 2171352-31-9 is the registry number for Ibrutinib Impurity 9. Offered by: Chemat Brand. Available pack sizes: on request.
3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-N-[3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide (CAS 2171352-31-9) is a chemical compound with the molecular formula C50H48N12O4 and a molecular weight of 881.0 g/mol. IUPAC name: 3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-N-[3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide. InChIKey: XBYYTUGHMGIAHF-RERZGLEZSA-N.
| Molecular formula | C50H48N12O4 |
|---|---|
| Molecular weight | 881.0 g/mol |
| IUPAC name | 3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-N-[3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide |
| InChIKey | XBYYTUGHMGIAHF-RERZGLEZSA-N |
| SMILES | C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)NC(=O)CCN6CCC[C@H](C6)N7C8=NC=NC(=C8C(=N7)C9=CC=C(C=C9)OC1=CC=CC=C1)N |
Computed by PubChem (NCBI)