ibrutinib (Q5984881)

From Wikidata
Jump to navigation Jump to search
chemical compound
  • Imbruvica®
  • PCI-32765
  • PCI 32765
  • PCI32765
  • Ibrutinib
  • 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
edit
Language Label Description Also known as
default for all languages
No label defined
    English
    ibrutinib
    chemical compound
    • Imbruvica®
    • PCI-32765
    • PCI 32765
    • PCI32765
    • Ibrutinib
    • 1-[(3R)-3-[4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

    Statements

    has use
    medication
    0 references
    chemical structure
    PCI-32765.svg
    512 × 745; 25 KB
    0 references
    mass
    440.196 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    24821094
    language of work or name
    English
    title
    Ibrutinib (English)
    retrieved
    19 October 2016
    chemical formula
    C₂₅H₂₄N₆O₂
    1 reference
    stated in
    PubChem
    PubChem CID
    24821094
    language of work or name
    English
    title
    Ibrutinib (English)
    retrieved
    20 November 2016
    canonical SMILES
    C=CC(=O)N1CCCC(C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N
    1 reference
    stated in
    PubChem
    PubChem CID
    24821094
    language of work or name
    English
    title
    Ibrutinib (English)
    retrieved
    20 November 2016
    isomeric SMILES
    C=CC(=O)N1CCC[C@H](C1)N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N
    1 reference
    stated in
    PubChem
    PubChem CID
    24821094
    language of work or name
    English
    title
    Ibrutinib (English)
    retrieved
    20 November 2016
    significant drug interaction
    has part(s)
    carbon
    0 references
    Commons category
    Ibrutinib
    0 references

    Identifiers

    Reaxys registry number
    13102252
    1 reference
    stated in
    ChEBI
    ChEBI ID
    76612
    language of work or name
    English
    title
    ibrutinib (English)
    retrieved
    19 October 2016
    HSDB ID
    8260
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    8260
    publication date
    28 October 2019
    title
    IBRUTINIB (English)
    retrieved
    10 May 2021
    LiverTox ID
    Ibrutinib
    0 references
    EC number
    805-642-2
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.232.543
    retrieved
    27 December 2018
    title
    (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Form I) (English)
    quotation
    CAS no.: 936563-96-1 (English)
    ECHA Substance Infocard ID
    100.232.543
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.232.543
    retrieved
    27 December 2018
    title
    (R)-1-(3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Form I) (English)
    quotation
    CAS no.: 936563-96-1 (English)
    KEGG ID
    D10223
    1 reference
    stated in
    ChEBI
    ChEBI ID
    76612
    language of work or name
    English
    title
    ibrutinib (English)
    retrieved
    19 October 2016
    PDB ligand ID
    1E8
    0 references
     
    edit
    edit
      edit
        edit
          edit
            edit
              edit
                edit
                  edit
                  Retrieved from "https://www.wikidata.org/w/index.php?title=Q5984881&oldid=2301513609"