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ximelagatran English (Q3570984)

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

    Statements

    instance of
    chemical compound
    1 reference
    stated in
    Q74165615 (Deleted Item)
    pharmaceutical drug
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    04898
    language of work or name
    English
    title
    Ximelagatran (English)
    publication date
    23 September 2015
    ethyl ester English
    0 references
    Q72400550 (Deleted Item)
    0 references
    Freebase ID
    /m/03zwtl
    1 reference
    stated in
    Q15241312 (Deleted Item)
    publication date
    28 October 2013
    CAS registry number
    192939-46-1
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    49HFB70472
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    19 November 2016
    InChIKey
    ZXIBCJHYVWYIKI-PZJWPPBQSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    9 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=192939-46-1
    PubChem CID
    9574101
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    ChEMBL ID
    CHEMBL522038
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL522038
    language of work or name
    English
    title
    XIMELAGATRAN (English)
    retrieved
    19 November 2016
    chemical formula
    C₂₄H₃₅N₅O₅
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    InChI
    InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    InChIKey
    ZXIBCJHYVWYIKI-PZJWPPBQSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    stated in
    Q74165615 (Deleted Item)
    DrugBank ID English
    04898
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    04898
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    KEGG ID English
    D01981
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    65172
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    3 October 2016
    ChemSpider ID
    7848559
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    7848559
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    19 November 2016
    UNII English
    49HFB70472
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    49HFB70472
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    19 November 2016
    ATC code English
    B01AE05
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    04898
    language of work or name
    English
    title
    Ximelagatran (English)
    publication date
    23 September 2015
    ChEBI ID
    65172
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL522038
    language of work or name
    English
    title
    XIMELAGATRAN (English)
    retrieved
    19 November 2016
    Guide to Pharmacology Ligand ID English
    6381
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    6381
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    19 November 2016
    NDF-RT ID English
    N0000171810
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    49HFB70472
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    19 November 2016
    isomeric SMILES
    CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N2CC[C@H]2C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    SMILES
    CCOC(=O)CNC(C1CCCCC1)C(=O)N2CCC2C(=O)NCC3=CC=C(C=C3)C(=NO)N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    19 November 2016
    World Health Organisation international non-proprietary name English
    ximelagatran (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    65172
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    3 October 2016
    Reaxys registry number English
    14559655
    2 references
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    65172
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    3 October 2016
    stated in
    Q74165615 (Deleted Item)
    mass
    473.263819 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    9574101
    language of work or name
    English
    title
    Ximelagatran (English)
    retrieved
    3 October 2016
    UMLS CUI English
    C0966370
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    49HFB70472
    language of work or name
    English
    title
    ximelagatran (English)
    retrieved
    19 November 2016
    DSSTox substance ID English
    DTXSID5049075
    1 reference
    stated in
    Q28061352 (Deleted Item)
    IEDB Epitope ID English
    604756
    1 reference
    stated in
    Immune Epitope Database and Analysis Resource English
    IEDB Epitope ID English
    604756
    retrieved
    1 March 2022
    defined daily dose English
    48 http://www.wikidata.org/entity/Q3241121
    route of administration English
    Q285166 (Deleted Item)
    1 reference
    reference URL
    https://www.whocc.no/atc_ddd_index/?code=B01AE05
    RxNorm ID English
    302490
    1 reference
    stated in
    Q21008030 (Deleted Item)
    NDF-RT ID English
    N0000171810
    retrieved
    26 February 2018
    MeSH
    C426686
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C426686
    retrieved
    14 March 2018
    subject has role
    Q50316187 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C426686
    retrieved
    15 March 2018
    physically interacts with
    Q409166 (Deleted Item)
    subject has role
    Q427492 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    6381
    language of work or name
    English
    retrieved
    17 August 2016
    Microsoft Academic ID
    2779630707
    0 references
    part of
    Q22274459 (Deleted Item)
    subject has role
    Q45342565 (Deleted Item)
    1 reference
    stated in
    Q93741199 (Deleted Item)
    DSSTOX compound identifier English
    DTXCID5029001
    0 references
    Human Metabolome Database ID English
    HMDB0015603
    0 references
    P11199 (Deleted Property)
    PD009350 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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