Theobromine

Make a chemical structure model of Theobromine using Authentic Molymod Atoms & Bonds by Indigo Instruments

Theobromine is often recognized as the prominent molecule present in chocolate. Structurally it is very similar to that of caffeine as it differs only by replacing a hydrogen with a methyl group. It is classified as a methylxanthine. Theobromine is the primary alkaloid found in cocoa.

Its name comes from the Greek word 'theo' meaning 'god', and 'Broma', meaning food, making Theobromine the 'food of the Gods'. Some coffee enthusiasts have even bought custom imprinted glass beakers to enjoy their favorite brew.

A molecular model of Theobromine in the Molymod Hybrid Dome style uses the atoms & bonds in the parts list below. Our free 3D Molecular Model Builder shows other styles & allows for image rotation as an assembly guide.

Chemical data
Molecular Weight Chemical Formula
180.1658 C7H8N4O2

Theobromine molecular model built with Molymod Atoms & Bonds

Hybrid Dome
62053
Open Sphere
62009
Orbit Basic
68845NV
Orbit Flexible
68827W 68847W
Parts Synonyms
Parts
P/NDescriptionQTY
60150EAtom, Molymod, white (hydrogen), hemisphere, 19mm8
60200EAtom, Molymod, red (oxygen), 2 hole, 105 degrees2
60311EAtom, Molymod, blue (nitrogen), 3 hole, 120 degrees, 23mm3
60400EAtom, Molymod, black (carbon), 4 hole, 109.5 degrees, 23mm7
60401EAtom, Molymod, blue (nitrogen), 4 hole, 109.5 deg., 23mm1
61012EBond, Molymod, grey (single), 20mm10
61013EBond, Molymod, grey (double/triple), 35mm8
61015EBond, Molymod, opaque, 2mm (for spacefilling models)8
Synonyms
3,7-dimethylpurine-2,6-dione , 3,7-Dimethylxanthine , 83-67-0 , KBio3_001258 , SDCCGMLS-0002875.P003 , KBio2_000433 , SPECTRUM1500649 , 1H-purine-2,6-dione,3,7-dihydro-3,7- dimethyl- (9CI) , 2,6-Dihydroxy-3,7-dimethyl-purine , 5-26-13-00553 (Beilstein) , c1095 , C07480 , Theobromine , 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione , Lopac-T-4500 , EU-0101187 , SPBio_002868 , Prestwick1_000874 , NCGC00016023-01 , NINDS_000611 , Spectrum4_000403 , KBio2_005569 , Spectrum5_001387 , KBio1_000611 , KBioSS_000433 , Spectrum_000053 , Spectrum3_000279 , 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione , 5-26-13-00553 (Beilstein Handbook Reference) , BRN 0016464 , CCRIS 2350 , EINECS 201-494-2 , FEMA No. 3591 , NSC 5039 , Theobromine (natural) , Theobromine [BAN] , Thesodate , PDSP2_001001 , Prestwick0_000874 , 1H-Purine-2,6-dione, 3,7-dihydro-3,7-dimethyl- , Diurobromine , NSC5039 , SC 15090 , Santheose , Teobromin , Theosalvose , Theostene , Thesal , WLN: T56 BN DN FNVMVJ B1 F1 , Xanthine, 3,7-dimethyl- , MLS000028407 , BSPBio_001758 , DivK1c_000611 , Prestwick_1054 , AIDS-022717 , Prestwick2_000874 , CAS-83-67-0 , NCGC00016023-02 , 2,6-Dihydroxy-3,7-dimethylpurine , T4500_SIGMA , BPBio1_001043 , PDSP1_001017 , Prestwick3_000874 , SBB012378 , NCGC00024123-04 , Spectrum2_000985 , CHEBI:28946 , SPBio_001049 , NCGC00024123-05 , Theobromin , AIDS022717 , SMR000058357 , IDI1_000611 , KBioGR_000666 , 37T , NCGC00024123-08 , KBio2_003001 , LS-1828 , BSPBio_000947 , Lopac0_001187 , ZINC00002151