Theobromine
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Description

Theobromine is a dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of other foods, and is a vasodilator, diuretic and heart stimulator. It has a role as a bronchodilator agent, a vasodilator agent, an adenosine receptor antagonist, a mouse metabolite, a plant metabolite, a food component and a human blood serum metabolite.

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Source creator
Nick Weber
Source license
Public Domain
Archived copies are shared under the license shown.
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Tags

#nih-3d
#small molecules
#theobromine
#3,7-dimethylxanthine
#83-67-0
#diurobromine
#teobromin
#santheose
#theosalvose
#theostene
#thesodate
#thesal
#3,7-dimethylpurine-2,6-dione
#3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione
#theobromin
#3,7-dihydro-3,7-dimethyl-1h-purine-2,6-dione
#xantheose
#xanthine, 3,7-dimethyl-
#2,6-dihydroxy-3,7-dimethylpurine
#fema no. 3591
#1h-purine-2,6-dione, 3,7-dihydro-3,7-dimethyl-
#sc 15090
#theobrominum
#nsc 5039
#2,6-dihydroxy-3,7-dimethyl-purine
#mfcd00022830
#brn 0016464
#519-41-5
#3,7-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione
#nsc-5039
#chembl1114
#obd445wz5p
#chebi:28946
#nsc5039
#3,7-dimethyl-1h-purine-2,6-dione
#cas-83-67-0
#ncgc00016023-11
#sc-15090
#dsstox_cid_6132
#3,7-dimethyl-1h-purine-2,6(3h,7h)-dione
#dsstox_rid_78030
#dsstox_gsid_26132
#theobromine (natural)
#7-dimethylxanthine
#ccris 2350
#hsdb 7332
#sr-01000000069
#einecs 201-494-2
#unii-obd445wz5p
#theobromine [inn:ban:nf]
#theobromine;
#cocoa theobromine
#37t
#theobromine (3,7-dimethylxanthine)
#prestwick_1054
#theobromine(20%)
#3,7-dimethylxanthin
#spectrum_000053
#3, 7-dimethylxanthine
#theobromine [mi]
#prestwick0_000874
#prestwick1_000874
#prestwick2_000874
#prestwick3_000874
#spectrum2_000985
#spectrum3_000279
#spectrum4_000403
#spectrum5_001387
#lopac-t-4500
#theobromine [fhfi]
#theobromine [hsdb]
#theobromine [iarc]
#theobromine [inci]
#theobromine [vandf]
#theobrominum [hpus]
#schembl3184
#theobromine, >=98.0%
#3,7-dimethyl-1,3,7-trihydropurine-2,6-dione
#theobromine [mart.]
#lopac0_001187
#bspbio_000947
#bspbio_001758
#kbiogr_000666
#kbioss_000433
#theobromine [who-dd]
#5-26-13-00553 (beilstein handbook reference)
#mls000028407
#divk1c_000611
#spectrum1500649
#spbio_001049
#spbio_002868
#bpbio1_001043
#zinc2151
#theobromine, analytical standard
#dtxsid9026132
#hms501o13
#kbio1_000611
#kbio2_000433
#kbio2_003001
#kbio2_005569
#kbio3_001258
#yapqbxqyljrxsa-uhfffaoysa-
#theobromine [ep impurity]
#ninds_000611
#hms1570p09
#hms1921o13
#hms2092g04
#hms2097p09
#hms3263n15
#hms3714p09
#pharmakon1600-01500649
#hy-n0138
#theobromine 0.1 mg/ml in methanol
#theobromine, >=98.0% (hplc)
#tox21_110284
#tox21_300016
#tox21_501187
#bbl034679
#bdbm50014260
#ccg-40078
#nsc757407
#pdsp1_001017
#pdsp2_001001
#s2368
#stl419465
#akos000121558
#tox21_110284_1
#5-26-13-00553 (beilstein)
#cs-7972
#db01412
#lp01187
#nsc-757407
#sdccgmls-0002875.p003
#sdccgsbi-0051154.p004
#idi1_000611
#ncgc00016023-01
#ncgc00016023-02
#ncgc00016023-03
#ncgc00016023-04
#ncgc00016023-05
#ncgc00016023-06
#ncgc00016023-07
#ncgc00016023-08
#ncgc00016023-09
#ncgc00016023-10
#ncgc00016023-12
#ncgc00016023-13
#ncgc00016023-14
#ncgc00016023-15
#ncgc00016023-17
#ncgc00016023-18
#ncgc00016023-26
#ncgc00024123-03
#ncgc00024123-04
#ncgc00024123-05
#ncgc00024123-06
#ncgc00024123-07
#ncgc00024123-08
#ncgc00179030-01
#ncgc00179030-02
#ncgc00253943-01
#ncgc00261872-01
#wln: t56 bn dn fnvmvj b1 f1
#ac-11381
#ac-34381
#as-13904
#smr000058357
#sy048379
#sbi-0051154.p003
#1h-purine-2, 3,7-dihydro-3,7-dimethyl-
#ab00052141
#eu-0101187
#ft-0660435
#ft-0675138
#t0178
#c07480
#d71206
#pentoxifylline impurity a [ep impurity]
#t 4500
#ab00052141_12
#q206844
#3,7-dimethyl-3,7-dihydro-1h-purine-2,6-dione #
#q-100848
#sr-01000000069-2
#sr-01000000069-4
#sr-01000000069-7
#sr-01000000069-8
#sr-01000000069-9
#brd-k34888156-001-08-8
#caffeine monohydrate impurity d [ep impurity]
#cec63cca-3b4b-4f4f-92c1-1789df3c880a
#sr-01000000069-10
#z56347209
#1h-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9ci)
#theobromine, european pharmacopoeia (ep) reference standard
#3,7-dimethylxanthine; 3,7-dimethylpurine-2,6-dione
#theobromine, pharmaceutical secondary standard; certified reference material
#en300-16609
#dtxcid506132
#refchem:6504
#3mf
#blend
#fbx
#glb
#jpg
#mtl
#obj
#ply
#png
#stl
#wrl
#x3d

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Theobromine

From NIH 3D
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Category

learning

License

CC0

Published

8/31/2026

Availability

free on NIH 3D