theobromine (Q206844)

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chemical compound
  • 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 3,7-dimethylxanthine
  • theobromin
  • 3,7-dimethylpurine-2,6-dione
  • diurobromine
  • 3,7-dimethyl-xanthine
  • 2,6-dihydroxy-3,7-dimethyl-purine
  • 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione
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Language Label Description Also known as
default for all languages
No label defined
    English
    theobromine
    chemical compound
    • 3,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • 3,7-dimethylxanthine
    • theobromin
    • 3,7-dimethylpurine-2,6-dione
    • diurobromine
    • 3,7-dimethyl-xanthine
    • 2,6-dihydroxy-3,7-dimethyl-purine
    • 3,7-dihydro-3,7-dimethyl-1H-purine-2,6-dione

    Statements

    subclass of
    purine alkaloid
    0 references
    dimethylxanthine
    0 references
    mass
    180.065 dalton
    1 reference
    stated in
    PubChem
    PubChem CID
    5429
    language of work or name
    English
    title
    theobromine (English)
    retrieved
    19 October 2016
    chemical formula
    C₇H₈N₄O₂
    1 reference
    stated in
    PubChem
    PubChem CID
    5429
    language of work or name
    English
    title
    theobromine (English)
    retrieved
    19 November 2016
    canonical SMILES
    CN1C=NC2=C1C(=O)NC(=O)N2C
    1 reference
    stated in
    PubChem
    PubChem CID
    5429
    language of work or name
    English
    title
    theobromine (English)
    retrieved
    19 November 2016
    found in taxon
    has part(s)
    nitrogen
    0 references
    oxygen
    0 references
    carbon
    0 references
    Commons category
    Theobromine
    0 references

    Identifiers

    Reaxys registry number
    16464
    1 reference
    stated in
    ChEBI
    ChEBI ID
    28946
    language of work or name
    English
    title
    theobromine (English)
    retrieved
    19 October 2016
    Gmelin number
    143367
    0 references
    SPLASH
    CAMEO Chemicals ID
    21098
    0 references
    HSDB ID
    7332
    1 reference
    stated in
    Hazardous Substances Data Bank
    HSDB ID
    7332
    publication date
    28 October 2019
    title
    3,7-Dimethylxanthine (English)
    retrieved
    10 May 2021
    NSC number
    5039
    0 references
    757407
    0 references
    FL number
    16.032
    1 reference
    quotation
    CAS no.: 83-67-0 (English)
    stated in
    EFSA database
    retrieved
    23 January 2021
    FL number
    16.032
    CosIng number
    80760
    1 reference
    stated in
    CosIng database
    CosIng number
    80760
    retrieved
    28 December 2019
    title
    THEOBROMINE (English)
    quotation
    CAS no.: 83-67-0 (English)
    UM-BBD compound ID
    c1095
    0 references
    MeSH descriptor ID
    D013805
    subject named as
    Theobromine
    0 references
    MeSH concept ID
    M0021284
    0 references
    PDB ligand ID
    37T
    0 references
    De Agostini ID
    teobromìna
    subject named as
    teobromìna
    0 references
    Elhuyar ZTH ID
    031073
    0 references
    Lex ID
    theobromin
    0 references
     
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