abiraterone acetate (Q27888393)

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chemical compound
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Language Label Description Also known as
English
abiraterone acetate
chemical compound

    Statements

    chemical structure
    Abiraterone acetate.svg
    512 × 356; 4 KB
    0 references
    mass
    391.25112929600004 dalton
    1 reference
    based on heuristic
    inferred from isomeric SMILES
    chemical formula
    C₂₆H₃₃NO₂
    1 reference
    stated in
    PubChem
    PubChem CID
    9821849
    language of work or name
    English
    title
    154229-18-2 (English)
    retrieved
    19 November 2016
    canonical SMILES
    CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
    1 reference
    stated in
    PubChem
    PubChem CID
    9821849
    language of work or name
    English
    title
    154229-18-2 (English)
    retrieved
    19 November 2016
    isomeric SMILES
    CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC=C4C5=CN=CC=C5)C)C
    1 reference
    stated in
    PubChem
    PubChem CID
    9821849
    language of work or name
    English
    title
    154229-18-2 (English)
    retrieved
    19 November 2016
    has part(s)
    abiraterone
    0 references
    Commons category
    Abiraterone acetate
    0 references

    Identifiers

    ChemSpider ID
    7997598
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    7997598
    language of work or name
    English
    title
    Abiraterone acetate (English)
    retrieved
    19 November 2016
    ChEMBL ID
    CHEMBL271227
    1 reference
    stated in
    ChEMBL
    ChEMBL ID
    CHEMBL271227
    language of work or name
    English
    title
    ABIRATERONE ACETATE (English)
    retrieved
    19 November 2016
    NSC number
    749227
    0 references
    748121
    0 references
    EC number
    620-314-7
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.149.063
    retrieved
    27 December 2018
    title
    (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (English)
    quotation
    CAS no.: 154229-18-2 (English)
    ECHA Substance Infocard ID
    100.149.063
    1 reference
    stated in
    ECHA Substance Infocard database
    ECHA Substance Infocard ID
    100.149.063
    retrieved
    27 December 2018
    title
    (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate (English)
    quotation
    CAS no.: 154229-18-2 (English)
    DeCS ID
    55939
    0 references
    Freebase ID
    /m/02vvjp6
    0 references
     
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