Pentamidine

Name: Pentamidine (CAS 100-33-4) – space-filling 3D model – rotation animation, MolGod Viewer
Uploaded: 2026-11-01T12:15:16Z
Duration: 3 s
Channel: MolGod Scientific
Description: Pentamidine (CAS 100-33-4) – space-filling 3D model – rotation animation, MolGod Viewer

CAS 100-33-4 · C₁₉H₂₄N₄O₂ · MW 340.4 g/mol

Model views

ball-and-stick 3D model
skeletal 3D model
space-filling 3D model – rotation animation
2D structure

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Pentamidine (CAS 100-33-4), C19H24N4O2 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL preview

MG_172-244-784-72 · engraved · 607,522 △ · 29 MB · SHA-256 6703f3ef9ec3c3a1

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Pentamidine (CAS 100-33-4), C19H24N4O2 - 3D ball-and-stick molecular model, MolGod STL preview

MG_172-244-784-72 · normal · 21,248 △ · 1 MB · SHA-256 acc442b5aa033c4e

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About Pentamidine

Pentamidine is a chemical compound registered under number CAS 100-33-4, with the molecular formula C₁₉H₂₄N₄O₂, and a molar mass of 340.4 g/mol.

The molecule contains 49 atoms connected by 50 chemical bonds. The full systematic IUPAC name of this compound is 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 2.6 (positive value, a lipophilic compound), polar surface area PSA = 118 Å², 4 donors and 4 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₁₉H₂₄N₄O₂
Molar mass	340.4 g/mol
IUPAC	4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
SMILES	`C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N`
InChIKey	`XDRYMKDFEDOLFX-UHFFFAOYSA-N`
logP (XLogP3)	2.6
PSA	118 Å²
HBD / HBA	4 / 4
PubChem CID	CID 4735 ↗

GHS safety

Signal word: Warning

GHS07

H302 — Harmful if swallowed

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

1 articles · 1 open access · Sources: PubMed, OpenAlex, Semantic Scholar

🔓

Therapeutic potential of pentamidine for glioma-initiating cells and glioma cells through multimodal antitumor effects.

Tamai S, Ichinose T, Jiapaer S et al. (2023) · Cancer science

Open AccessDOI ↗PubMed ↗PDF ↗

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Data sources

📊 PubChem CID 4735 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Bromadiolone (CAS 28772-56-7) CAS 28772-56-7 · C30H23BrO4 Chloroform (CAS 67-66-3) CAS 67-66-3 · CHCl3 Phenyl glycidyl ether (CAS 122-60-1) CAS 122-60-1 · C9H10O2 Serotonin (CAS 50-67-9) CAS 50-67-9 · C10H12N2O Cyclohexane (CAS 110-82-7) CAS 110-82-7 · C6H12 Tridemorph (CAS 24602-86-6) CAS 24602-86-6 · C19H39NO

📜 License & provenanceMolGod_License_1

COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

Model: Pentamidine · 100-33-4
InChIKey: XDRYMKDFEDOLFX-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Pentamidine (CAS 100-33-4)
License & provenance record: Pentamidine (CAS 100-33-4) →
MolGod molecule record: Pentamidine →
Source data: PubChem CID 4735 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): acc442b5aa033c4eabec5ff9158ab38416b41171740d3d348112265219a3f3af
MD5 (STL): 1cc95ddc3205d21f936150013d625ba6
MolGod Identification Number: MG_172-244-784-72
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

📄 Download 3D model (1 MB)📄 Download 3D model · ENGRAVED · C H N O · (29 MB)

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