evacetrapib (Q553129)

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chemical compound
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Language Label Description Also known as
English
evacetrapib
chemical compound

    Statements

    chemical structure
    Evacetrapib.svg
    512 × 707; 7 KB
    0 references
    mass
    638.280394±0 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    49836058
    language of work or name
    English
    title
    Evacetrapib (English)
    retrieved
    16 September 2016
    chemical formula
    C₃₁H₃₆F₆N₆O₂
    1 reference
    stated in
    PubChem
    PubChem CID
    49836058
    language of work or name
    English
    title
    Evacetrapib (English)
    retrieved
    16 September 2016
    canonical SMILES
    OC(=O)C1CCC(CC1)CN2CCCC(C3=C2C(C)=CC(=C3)C)N(C=4N=NN(N4)C)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
    1 reference
    stated in
    IUPHAR/BPS Guide to PHARMACOLOGY
    Guide to Pharmacology Ligand ID
    8401
    language of work or name
    English
    title
    evacetrapib (English)
    retrieved
    16 September 2016
    isomeric SMILES
    OC(=O)C1CCC(CC1)CN2CCC[C@@H](C3=C2C(C)=CC(=C3)C)N(C=4N=NN(N4)C)CC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F
    1 reference
    stated in
    IUPHAR/BPS Guide to PHARMACOLOGY
    Guide to Pharmacology Ligand ID
    8401
    language of work or name
    English
    title
    evacetrapib (English)
    retrieved
    16 September 2016

    Identifiers

    ChemSpider ID
    33824063
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    33824063
    language of work or name
    English
    title
    4-{[(5S)-5-{[3,5-Bis(trifluoromethyl)benzyl](2-methyl-2H-tetrazol-5-yl)amino}-7,9-dimethyl-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]methyl}cyclohexanecarboxylic acid (English)
    retrieved
    16 September 2016
    EC number
    800-517-9
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.227.032
    retrieved
    27 December 2018
    title
    TRANS-4-{[(5S)-5-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL](2-METHYL-2H-TETRAZOL-5-YL)AMINO}-7,9-DIMETHYL-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL]METHYL}CYCLOHEXANECARBOXYLIC ACID (English)
    quotation
    CAS no.: 1186486-62-3 (English)
    ECHA Substance Infocard ID
    100.227.032
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.227.032
    retrieved
    27 December 2018
    title
    TRANS-4-{[(5S)-5-{[3,5-BIS(TRIFLUOROMETHYL)BENZYL](2-METHYL-2H-TETRAZOL-5-YL)AMINO}-7,9-DIMETHYL-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL]METHYL}CYCLOHEXANECARBOXYLIC ACID (English)
    quotation
    CAS no.: 1186486-62-3 (English)
    DrugBank ID
    11655
    1 reference
    stated in
    DrugBank
    DrugBank ID
    11655
    retrieved
    6 July 2021
    quotation
    CAS no.: 1186486-62-3 (English)
    title
    Evacetrapib (English)
    UNII
    51XWV9K850
    0 references
    Freebase ID
    /m/0hhw960
    0 references
     
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