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docetaxel (Q420436)

From Wikidata
chemical compound
  • Docecad®
  • EmDOC
  • Taxotere®
  • Docetaxel
  • TXL
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
  • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol
  • docetaxel, anhydrous
  • docetaxel anhydrous
  • Docetaxel anhydrous
  • N-Debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
  • N-Debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol
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Language Label Description Also known as
default for all languages
No label defined
    English
    docetaxel
    chemical compound
    • Docecad®
    • EmDOC
    • Taxotere®
    • Docetaxel
    • TXL
    • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
    • N-debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol
    • docetaxel, anhydrous
    • docetaxel anhydrous
    • Docetaxel anhydrous
    • N-Debenzoyl-N-(tert-butoxycarbonyl)-10-deacetylpaclitaxel
    • N-Debenzoyl-N-(tert-butoxycarbonyl)-10-deacetyltaxol

    Statements

    has use
    medication
    0 references
    chemical formula
    C₄₃H₅₃NO₁₄
    1 reference
    stated in
    PubChem
    PubChem CID
    148124
    language of work or name
    English
    title
    docetaxel (English)
    retrieved
    18 November 2016
    canonical SMILES
    CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
    1 reference
    stated in
    PubChem
    PubChem CID
    148124
    language of work or name
    English
    title
    docetaxel (English)
    retrieved
    18 November 2016
    isomeric SMILES
    CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O
    1 reference
    stated in
    PubChem
    PubChem CID
    148124
    language of work or name
    English
    title
    docetaxel (English)
    retrieved
    18 November 2016
    legal status (medicine)
    boxed warning
    1 reference
    reference URL
    https://nctr-crs.fda.gov/fdalabel/ui/spl-summaries/criteria/343802
    title
    FDA-sourced list of all drugs with black box warnings (Use Download Full Results and View Query links. (English)
    mass
    807.347 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    148124
    language of work or name
    English
    title
    docetaxel (English)
    retrieved
    18 November 2016
    has part(s)
    carbon
    0 references
    nitrogen
    0 references
    oxygen
    0 references
    hydrogen
    0 references
    Commons category
    Docetaxel
    0 references

    Identifiers

    Reaxys registry number
    4290183
    1 reference
    stated in
    ChEBI
    ChEBI ID
    4672
    language of work or name
    English
    title
    docetaxel anhydrous (English)
    retrieved
    19 October 2016
    HSDB ID
    6965
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    6965
    publication date
    28 October 2019
    title
    DOCETAXEL (English)
    retrieved
    10 May 2021
    LiverTox ID
    Docetaxel
    0 references
    EC number
    601-339-2
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.129.246
    retrieved
    27 December 2018
    title
    (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (English)
    quotation
    CAS no.: 114977-28-5 (English)
    ECHA Substance Infocard ID
    100.129.246
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.129.246
    retrieved
    27 December 2018
    title
    (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-4,6,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl (English)
    quotation
    CAS no.: 114977-28-5 (English)
    MeSH concept ID
    M0585054
    0 references
    KEGG ID
    C11231
    1 reference
    stated in
    ChEBI
    ChEBI ID
    4672
    language of work or name
    English
    title
    docetaxel anhydrous (English)
    retrieved
    19 October 2016
    D07866
    1 reference
    stated in
    ChEBI
    ChEBI ID
    4672
    language of work or name
    English
    title
    docetaxel anhydrous (English)
    retrieved
    19 October 2016
    PDB ligand ID
    TXL
    0 references
    DeCS ID
    57515
    0 references
    KBpedia ID
    Docetaxel
    1 reference
    stated in
    KBpedia
    retrieved
    9 July 2020
     
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