Pentamidine

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

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3D model Pentamidine, CAS 100-33-4, molecular formula C19H24N4O2, molar mass 340.4 g/mol
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 Ų, 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 widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC19H24N4O2
Masa molowa340.4 g/mol
IUPAC4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
SMILESC1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N
InChIKeyXDRYMKDFEDOLFX-UHFFFAOYSA-N
logP (XLogP3)2.6
PSA118 Ų
HBD / HBA4 / 4
PubChem CIDCID 4735 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H302 — Działa szkodliwie po połknięciu

H315 — Działa drażniąco na skórę

H319 — Działa drażniąco na oczy

H335 — Może powodować podrażnienie dróg oddechowych

Scientific literature

Related literature

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

Filtry:Eksport:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Data sources
Related molecules
📜 License & provenanceMolGod_License_1
Pentamidine (CAS 100-33-4), C19H24N4O2 - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewPobierz obraz

MG-STL-100-33-4-GRAVERED · 613,498 △ · 29 MB · SHA-256 2e528d5067d6e458

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

MG-STL-100-33-4-NORMAL · 20,480 △ · 1,000 KB · SHA-256 450bb0cc7c76c508

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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 @ 8b6dfdd · generated 2026-09-25
SHA-256 (STL)
450bb0cc7c76c50894cc7cb532e593da8a52964526a77212aca4c55f51bba53d
MD5 (STL)
9908fcc44d23461f7c77d5d88967c37b
Model identifier
MG-STL-100-33-4
Transformation
MolGod Scientific ball-and-stick mesh
Changes
Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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