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naltrindole English (Q3743642)

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
    111555-53-4
    2 references
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    81528
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    InChIKey
    WIYUZYBFCWCCQJ-IFKAHUTRSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=111555-53-4
    PubChem CID
    5497186
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    ChEMBL ID
    CHEMBL567175
    1 reference
    stated in
    ChEMBL English
    ChEMBL ID
    CHEMBL567175
    language of work or name
    English
    title
    NALTRINDOLE (English)
    retrieved
    19 October 2016
    chemical formula
    C₂₆H₂₆N₂O₃
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    InChI
    InChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24+,25+,26-/m1/s1
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    InChIKey
    WIYUZYBFCWCCQJ-IFKAHUTRSA-N
    2 references
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    stated in
    Q98915402 (Deleted Item)
    ChemSpider ID
    4593753
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    4593753
    language of work or name
    English
    title
    4,8-Methanobenzofuro(2,3-a)pyrido(4,3-b)carbazole-1,8a(9H)-diol, 7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-, (4bS,8R,8aS,14bR)- (English)
    retrieved
    19 October 2016
    UNII English
    G167Z38QA4
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    G167Z38QA4
    language of work or name
    English
    title
    naltrindole (English)
    retrieved
    19 October 2016
    ChEBI ID
    81528
    mapping relation type English
    exact match English
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    81528
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    Guide to Pharmacology Ligand ID English
    1641
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    1641
    language of work or name
    English
    title
    naltrindole (English)
    retrieved
    19 October 2016
    3829
    1 reference
    stated in
    Q17091219 (Deleted Item)
    retrieved
    5 February 2021
    SMILES
    C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    isomeric SMILES
    C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=CC=CC=C8N6
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    KEGG ID English
    C18128
    1 reference
    stated in
    Q902623 (Deleted Item)
    ChEBI ID
    81528
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    PDB structure ID English
    4N6H
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    4N6H
    language of work or name
    English
    title
    4N6H (English)
    retrieved
    19 October 2016
    4EJ4
    1 reference
    stated in
    Q766195 (Deleted Item)
    PDB structure ID English
    4EJ4
    language of work or name
    English
    title
    4EJ4 (English)
    retrieved
    19 October 2016
    mass
    414.194±0 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    5497186
    language of work or name
    English
    title
    Naltrindole (English)
    retrieved
    19 October 2016
    MeSH
    C055382
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C055382
    retrieved
    14 March 2018
    subject has role
    Q908096 (Deleted Item)
    1 reference
    stated in
    Q199897 (Deleted Item)
    MeSH
    C055382
    retrieved
    15 March 2018
    physically interacts with
    Q21115334 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    1641
    language of work or name
    English
    retrieved
    17 August 2016
    Q21988386 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    1641
    language of work or name
    English
    retrieved
    17 August 2016
    Opioid receptor kappa 1 English
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    1641
    language of work or name
    English
    retrieved
    17 August 2016
    Q14900999 (Deleted Item)
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    1641
    language of work or name
    English
    retrieved
    17 August 2016
    Opioid receptor mu 1 English
    subject has role
    Q410943 (Deleted Item)
    1 reference
    stated in
    Q17091219 (Deleted Item)
    Guide to Pharmacology Ligand ID English
    1641
    language of work or name
    English
    retrieved
    17 August 2016
    DSSTox substance ID English
    DTXSID60912216
    0 references
    Microsoft Academic ID
    2777953665
    0 references
    DSSTOX compound identifier English
    DTXCID701341240
    0 references
    PDB ligand ID English
    EJ4
    0 references
    Freebase ID
    /m/03b_9r1
    0 references
    P11199 (Deleted Property)
    PD046233 Property P11199 not found, cannot determine the data type to use.
    0 references
     
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