Products 2540665-98-1
CAS 2540665-98-1 is the registry number for Ibrutinib Impurity 30. Offered by: Chemat Brand. Available pack sizes: on request.
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-2-yl]propan-1-one (CAS 2540665-98-1) is a chemical compound with the molecular formula C50H48N12O4 and a molecular weight of 881.0 g/mol. IUPAC name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-2-yl]propan-1-one. InChIKey: RLUDJCJQDCAAKW-XDSPJLLDSA-N.
| Molecular formula | C50H48N12O4 |
|---|---|
| Molecular weight | 881.0 g/mol |
| IUPAC name | 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-[(3S)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-2-yl]propan-1-one |
| InChIKey | RLUDJCJQDCAAKW-XDSPJLLDSA-N |
| SMILES | C=CC(=O)N1CCC[C@@H](C1)N2C3=NC=NC(=N)C3=C(N2CCC(=O)N4CCC[C@H](C4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N)C9=CC=C(C=C9)OC1=CC=CC=C1 |
Computed by PubChem (NCBI)
Synonyms:
Ibrutinib Impurity N21