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fosaprepitant English (Q5473324)

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
    172673-20-0
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    6L8OF9XRDC
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    18 November 2016
    InChIKey
    BARDROPHSZEBKC-OITMNORJSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    8 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=172673-20-0
    PubChem CID
    219090
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    ChEMBL ID
    CHEMBL1199324
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1199324
    language of work or name
    English
    title
    FOSAPREPITANT (English)
    retrieved
    18 November 2016
    chemical formula
    C₂₃H₂₂F₇N₄O₆P
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    InChI
    InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/t12-,19+,20-/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    InChIKey
    BARDROPHSZEBKC-OITMNORJSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    stated in
    Q98915402 (Deleted Item)
    DrugBank ID English
    06717
    1 reference
    stated in
    Q1122544 (Deleted Item)
    DrugBank ID English
    06717
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    KEGG ID English
    D06597
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1199324
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    19 Ocak 2016
    UNII English
    6L8OF9XRDC
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6L8OF9XRDC
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    18 November 2016
    ChEBI ID
    64321
    mapping relation type English
    exact match English
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL1199324
    language of work or name
    English
    title
    FOSAPREPITANT (English)
    retrieved
    18 November 2016
    ChemSpider ID
    189912
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    189912
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    Guide to Pharmacology Ligand ID English
    7623
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    7623
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    18 November 2016
    NDF-RT ID English
    N0000176135
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6L8OF9XRDC
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    18 November 2016
    SMILES
    CC(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC2C(N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    isomeric SMILES
    C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)N(N3)P(=O)(O)O)C4=CC=C(C=C4)F
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    Reaxys registry number English
    8601672
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    64321
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    3 October 2016
    World Health Organisation international non-proprietary name English
    fosaprepitant (English)
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    64321
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    3 October 2016
    mass
    614.117 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    219090
    language of work or name
    English
    title
    Fosaprepitant (English)
    retrieved
    18 November 2016
    UMLS CUI English
    C2349941
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6L8OF9XRDC
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    18 November 2016
    RxNorm ID English
    1731071
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    6L8OF9XRDC
    language of work or name
    English
    title
    fosaprepitant (English)
    retrieved
    18 November 2016
    pregnancy category English
    Q28123616 (Deleted Item)
    1 reference
    imported from Wikimedia project
    English Wikipedia
    MeSH
    C579707
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C579707
    retrieved
    14 March 2018
    subject has role
    Q575136 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C579707
    retrieved
    15 March 2018
    Q12744608 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C579707
    retrieved
    15 March 2018
    Human Metabolome Database ID English
    HMDB0015662
    0 references
    physically interacts with
    Tachykinin receptor 1 English
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    7623
    language of work or name
    English
    retrieved
    17 August 2016
    Microsoft Academic ID
    2781221269
    0 references
    Freebase ID
    /m/03wglr0
    0 references
    PatientsLikeMe treatment ID English
    fosaprepitant
    0 references
    Commons category
    Fosaprepitant
    0 references
    P11199 (Deleted Property)
    PD009246 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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