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pentylone English (Q7165334)

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
    698963-77-8
    2 references
    stated in
    Unique Ingredient Identifier English
    UNII English
    IGN39WGH0Q
    language of work or name
    English
    title
    pentylone (English)
    retrieved
    14 October 2016
    InChIKey
    DFMLULIEUUXXSA-UHFFFAOYSA-N
    stated in
    Q18907859 (Deleted Item)
    retrieved
    10 April 2021
    reference URL
    https://commonchemistry.cas.org/detail?cas_rn=698963-77-8
    ChemSpider ID
    29786041
    1 reference
    stated in
    ChemSpider
    ChemSpider ID
    29786041
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    SMILES
    CCCC(C(=O)C1=CC2=C(C=C1)OCO2)NC
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    60208608
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    mass
    235.121±0 http://www.wikidata.org/entity/Q483261
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    60208608
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    InChIKey
    DFMLULIEUUXXSA-UHFFFAOYSA-N
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    60208608
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    chemical formula
    C₁₃H₁₇NO₃
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    60208608
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    UNII English
    IGN39WGH0Q
    1 reference
    stated in
    Unique Ingredient Identifier English
    UNII English
    IGN39WGH0Q
    language of work or name
    English
    title
    pentylone (English)
    retrieved
    14 October 2016
    PubChem CID
    60208608
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    60208608
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    InChI
    InChI=1S/C13H17NO3/c1-3-4-10(14-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3
    1 reference
    stated in
    Q278487 (Deleted Item)
    PubChem CID
    60208608
    language of work or name
    English
    title
    Pentylone (English)
    retrieved
    14 October 2016
    DSSTox substance ID English
    DTXSID401014183
    0 references
    Microsoft Academic ID
    2779811225
    0 references
    DSSTOX compound identifier English
    DTXCID60908593
    0 references
    Freebase ID
    /m/0b75sk1
    0 references
     
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