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ombrabulin English (Q7089934)

Item Discussion
chemical compound
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Language Label Description Also known as
British English
No label defined
chemical compound

    Statements

    CAS registry number
    181816-48-8
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    82JB1524Q6
    language of work or name
    English
    title
    ombrabulin (English)
    retrieved
    14 October 2016
    InChIKey
    IXWNTLSTOZFSCM-YVACAVLKSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=181816-48-8
    PubChem CID
    6918405
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    InChI
    InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    InChIKey
    IXWNTLSTOZFSCM-YVACAVLKSA-N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    chemical formula
    C₂₁H₂₆N₂O₆
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    UNII English
    82JB1524Q6
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    82JB1524Q6
    language of work or name
    English
    title
    ombrabulin (English)
    retrieved
    14 October 2016
    ChemSpider ID
    5293602
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    5293602
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    isomeric SMILES
    COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    SMILES
    COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    ChEMBL ID
    CHEMBL572284
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL572284
    language of work or name
    English
    title
    CHEMBL572284 (English)
    retrieved
    14 October 2016
    mass
    402.179 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    6918405
    language of work or name
    English
    title
    Ombrabulin (English)
    retrieved
    14 October 2016
    DrugBank ID English
    12882
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    12882
    language of work or name
    English
    title
    Ombrabulin (English)
    publication date
    3 July 2018
    DSSTox substance ID English
    DTXSID50939477
    0 references
    Microsoft Academic ID
    2777799725
    0 references
    DSSTOX compound identifier English
    DTXCID401367972
    0 references
    Freebase ID
    /m/0h3q5b0
    0 references
    P11199 (Deleted Property)
    PD058397 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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