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
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
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carbon
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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
Lex ID
theobromin
0 references
Elhuyar ZTH ID
031073
0 references
 
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