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theophylline (Q407308)

From Wikidata
chemical compound
  • 1,3-dimethyl-7H-purine-2,6-dione
  • 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • theophylline anhydrous
  • 1,3-dimethylxanthine
  • theophyllin
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Language Label Description Also known as
default for all languages
No label defined
    English
    theophylline
    chemical compound
    • 1,3-dimethyl-7H-purine-2,6-dione
    • 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • theophylline anhydrous
    • 1,3-dimethylxanthine
    • theophyllin

    Statements

    part of
    ambuphylline
    0 references
    has use
    medication
    0 references
    chemical formula
    C₇H₈N₄O₂
    1 reference
    stated in
    PubChem
    PubChem CID
    2153
    language of work or name
    English
    title
    theophylline (English)
    retrieved
    20 November 2016
    canonical SMILES
    CN1C2=C(C(=O)N(C1=O)C)NC=N2
    1 reference
    stated in
    PubChem
    PubChem CID
    2153
    language of work or name
    English
    title
    theophylline (English)
    retrieved
    20 November 2016
    found in taxon
    mass
    180.065 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    2153
    language of work or name
    English
    title
    theophylline (English)
    retrieved
    19 October 2016
    MCN code
    2939.59.10
    0 references
    has part(s)
    nitrogen
    0 references
    oxygen
    0 references
    carbon
    0 references

    Identifiers

    Reaxys registry number
    13463
    1 reference
    stated in
    ChEBI
    ChEBI ID
    28177
    language of work or name
    English
    title
    theophylline (English)
    retrieved
    19 October 2016
    Gmelin number
    51226
    0 references
    MassBank accession ID
    SM815601
    0 references
    SM815654
    0 references
    MSBNK-Eawag-EQ363201
    0 references
    MSBNK-Eawag-EQ363202
    0 references
    MSBNK-Eawag-EQ363203
    0 references
    MSBNK-Eawag-EQ363204
    0 references
    MSBNK-Eawag-EQ363205
    0 references
    MSBNK-Eawag-EQ363206
    0 references
    MSBNK-Eawag-EQ363207
    0 references
    MSBNK-Eawag-EQ363208
    0 references
    MSBNK-Eawag-EQ363209
    0 references
    MSBNK-Eawag-EQ363251
    0 references
    MSBNK-Eawag-EQ363252
    0 references
    MSBNK-Eawag-EQ363253
    0 references
    MSBNK-Eawag-EQ363254
    0 references
    MSBNK-Eawag-EQ363255
    0 references
    MSBNK-Eawag-EQ363256
    0 references
    MSBNK-Eawag-EQ363257
    0 references
    MSBNK-Eawag-EQ363258
    0 references
    MSBNK-Eawag-EQ363259
    0 references
    MSBNK-Waters-WA000305
    0 references
    MSBNK-Waters-WA000306
    0 references
    MSBNK-Waters-WA000307
    0 references
    MSBNK-Waters-WA000308
    0 references
    MSBNK-Waters-WA000309
    0 references
    MSBNK-Waters-WA000310
    0 references
    MSBNK-Waters-WA001340
    0 references
    MSBNK-Waters-WA001341
    0 references
    MSBNK-Waters-WA001342
    0 references
    MSBNK-Waters-WA001343
    0 references
    MSBNK-Waters-WA001344
    0 references
    MSBNK-Waters-WA001345
    0 references
    SPLASH
    ICSC ID
    0678
    0 references
    CAMEO Chemicals ID
    21099
    0 references
    ZVG number
    31810
    0 references
    HSDB ID
    3399
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    3399
    publication date
    28 October 2019
    title
    THEOPHYLLINE (English)
    retrieved
    10 May 2021
    NSC number
    2066
    0 references
    CosIng number
    38578
    1 reference
    stated in
    CosIng database
    CosIng number
    38578
    retrieved
    28 December 2019
    title
    THEOPHYLLINE (English)
    quotation
    CAS no.: 58-55-9 (English)
    AGROVOC ID
    c_16089
    0 references
    UM-BBD compound ID
    c1152
    0 references
    MeSH descriptor ID
    D013806
    subject named as
    Theophylline
    0 references
    MeSH concept ID
    M0587176
    0 references
    KEGG ID
    C07130
    1 reference
    stated in
    ChEMBL
    ChEMBL ID
    CHEMBL190
    language of work or name
    English
    title
    Theophylline (English)
    retrieved
    19 January 2016
    PDB ligand ID
    TEP
    0 references
    DeCS ID
    14184
    0 references
    Elhuyar ZTH ID
    031074
    0 references
    NALT ID
    65717
    0 references
    UNSPSC code
    51161505
    0 references
     
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