Ibrutinib Impurity 30

cas: 2540665-98-1 — see every product listed under this CAS number, including other names

Ibrutinib Impurity 30 (CAS 2540665-98-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULI061035
cas2540665-98-1
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

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.

Identity
Molecular formulaC50H48N12O4
Molecular weight881.0 g/mol
IUPAC name1-[(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
InChIKeyRLUDJCJQDCAAKW-XDSPJLLDSA-N
SMILESC=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
Isomers (same molecular formula)
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 C50H48N12O4
1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[[3-(4-phenoxyphenyl)-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-one C50H48N12O4
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-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[5,4-d]pyrimidin-5-yl]propan-1-one C50H48N12O4
1-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-3-[4-imino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-4-yl)pyrazolo[5,4-d]pyrimidin-5-yl]propan-1-one C50H48N12O4