Description

This entry presents Pentamidine (C19H24N4O2; CAS 100-33-4; PubChem CID 4735 (https://pubchem.ncbi.nlm.nih.gov/compound/4735)) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, N, O), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged. Structure at a glance 49 atoms: 19 C, 24 H, 4 N, 2 O 50 bonds: 36 single, 2 double, 12 aromatic Two 6-membered rings, both aromatic Functional groups: two ether linkages (C-O-C) Four hydrogen-bond donors and four acceptors (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.26 (computed) Use in teaching Counting task: students tally the engraved symbols (19 C, 24 H, 4 N, 2 O; 49 atoms) and rebuild the formula C19H24N4O2 from the model alone. Aromaticity: identify the two aromatic rings and the 12 bonds recorded as aromatic; the model draws them as one Kekulé structure (alternating single and double bonds), while in the real molecule they are delocalised, intermediate between single and double. Functional groups: find the two ether linkages (C-O-C) on the model and name each one. File and printing STL mesh of 607,522 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 14.91 × 14.853 × 6.136 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 149.1 × 148.5 × 61.4 mm. SHA-256: 6703f3ef9ec3c3a187a3220a92ea2c88910818b61a38dea4ee888f633846c6d7. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): XDRYMKDFEDOLFX-UHFFFAOYSA-N Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file Source, licence and identifiers Full record: molgod.org/molecule/100-33-4 (https://molgod.org/molecule/100-33-4/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/100-33-4 (https://molgod.org/licenses/stl/100-33-4/) · Same file on Wikimedia Commons: File:Pentamidine-3D-molecular-model-engraved-CAS-100-33-4.stl (https://commons.wikimedia.org/wiki/File:Pentamidine-3D-molecular-model-engraved-CAS-100-33-4.stl) MolGod ID: MG_172-244-784-72 (https://molgod.org/id/MG_172-244-784-72) Wikidata: Q416206 (https://www.wikidata.org/wiki/Q416206) EC number: 202-841-0 ChemSpider ID: 4573 IUPAC name: 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide InChIKey: XDRYMKDFEDOLFX-UHFFFAOYSA-N SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N Molar mass 340.4 g/mol (exact mass 340.18992602) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "Pentamidine 3D model by MolGod.org — https://molgod.org/molecule/100-33-4/ — CC BY-SA 4.0".