Theophylline 3D Molecular Model — CAS 58-55-9
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Free educational Theophylline model (C7H8N4O2, CAS 58-55-9) with an engraved element symbol on every atom.
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Model information
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- Printables
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- Chemistry & Biology
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Theophylline (C7H8N4O2, CAS 58-55-9) — a free educational 3D molecular model for teachers and students, by MolGod.org. No legend required: the element symbol is engraved on each atom.
Look at the skeleton first: Theophylline contains two rings (one 5-membered and one 6-membered), fused along a shared edge, one of them aromatic, and students can trace 22 bonds (15 single, 3 double and 4 aromatic). Hand the model round and let students tally the engraved atoms: 7 C + 8 H + 4 N + 2 O, 21 in total. On the printed model, students can point to the pyridine-type ring nitrogen. Worth bringing out when the syllabus reaches aromaticity and delocalised electrons, fused ring systems, as well as heteroaromatic rings (nitrogen inside an aromatic ring). Students who finish early can look up caffeine (CAS 58-08-2) and Acefylline (CAS 652-37-9), the closest neighbours in the collection, and list what differs.
This model is part of the free MolGod.org collection of engraved molecules for education. Teachers: pass the model round at the start of the lesson, before showing any diagram.
Full record and more free models: https://molgod.org/molecule/58-55-9/?utm_source=printables&utm_medium=referral&utm_campaign=edu-3d-models
Licence & provenance: https://molgod.org/licenses/stl/58-55-9/
Same file on Wikimedia Commons: https://commons.wikimedia.org/wiki/File:Theophylline-3D-molecular-model-engraved-CAS-58-55-9.stl
A ball-and-stick model of Theophylline with each element symbol recessed into its atom sphere, generated by MolGod.org from a PubChem-computed 3D conformer (not an experimental crystal structure); atomic coordinates and connectivity are unchanged. STL mesh: 281,566 triangles, closed (watertight) single solid. Coordinates in ångström (STL stores no unit) — scale the model deliberately in your slicer.
Names in other languages: Theophyllin (de); théophylline (fr); teofillina (it); theofylline (nl); teofilina (pl); 茶碱 (zh).
Chemical identity
CAS Registry Number: 58-55-9
Molecular formula: C7H8N4O2
Molar mass: 180.16 g/mol (exact mass 180.06472551)
IUPAC name: 1,3-dimethyl-7H-purine-2,6-dione
MolGod ID: MG_539-553-941-70 (https://molgod.org/id/MG_539-553-941-70)
PubChem CID: 2153 (https://pubchem.ncbi.nlm.nih.gov/compound/2153)
Wikidata: Q407308 (https://www.wikidata.org/wiki/Q407308)
EC number: 200-385-7
ChemSpider ID: 2068
InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
Required attribution (CC BY-SA 4.0): "Theophylline 3D model by MolGod.org — https://molgod.org/molecule/58-55-9/ — CC BY-SA 4.0"
Licence text: https://creativecommons.org/licenses/by-sa/4.0/