Galeterone (Q5518498)

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

    Statements

    chemical structure
    Galeterone.svg
    1,455 × 976; 3 KB
    0 references
    mass
    388.25146364399995 dalton
    1 reference
    based on heuristic
    inferred from isomeric SMILES
    chemical formula
    C₂₆H₃₂N₂O
    1 reference
    stated in
    PubChem
    canonical SMILES
    CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O
    1 reference
    stated in
    PubChem
    retrieved
    31 January 2019
    title
    Galeterone (English)
    PubChem CID
    11188409
    isomeric SMILES
    C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4N5C=NC6=CC=CC=C65)C)O
    1 reference
    stated in
    PubChem
    retrieved
    31 January 2019
    title
    Galeterone (English)
    PubChem CID
    11188409

    Identifiers

    InChIKey
    PAFKTGFSEFKSQG-PAASFTFBSA-N
    1 reference
    stated in
    PubChem
    retrieved
    31 January 2019
    title
    Galeterone (English)
    PubChem CID
    11188409
    PubChem CID
    11188409
    1 reference
    stated in
    PubChem
    retrieved
    31 January 2019
    title
    Galeterone (English)
    PubChem CID
    11188409
    Reaxys registry number
    9444634
    0 references
    EC number
    806-537-4
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.233.599
    retrieved
    27 December 2018
    title
    (1S,2R,5S,10R,11S,15S)-14-(1H-1,3-benzodiazol-1-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,13-dien-5-ol (English)
    quotation
    CAS no.: 851983-85-2 (English)
    ECHA Substance Infocard ID
    100.233.599
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.233.599
    retrieved
    27 December 2018
    title
    (1S,2R,5S,10R,11S,15S)-14-(1H-1,3-benzodiazol-1-yl)-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-7,13-dien-5-ol (English)
    quotation
    CAS no.: 851983-85-2 (English)
    DrugBank ID
    12415
    1 reference
    stated in
    DrugBank
    DrugBank ID
    12415
    retrieved
    6 July 2021
    quotation
    CAS no.: 851983-85-2 (English)
    title
    Galeterone (English)
    UNII
    WA33E149SW
    0 references
    PDB ligand ID
    TOK
    0 references
    Freebase ID
    /m/0h684qc
    0 references
     
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