Ezetimibe

CAS 163222-33-1 · C₂₄H₂₁F₂NO₃ · MW 409.4 g/mol

Full record: Ezetimibe — Safety Data Sheet →

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Ezetimibe (CAS 163222-33-1), C24H21F2NO3 - 3D ball-and-stick molecular model, engraved element symbols (C H F N O), MolGod STL preview

MG_876-658-674-14 · engraved · 661,070 △ · 32 MB · SHA-256 72e6aaf41a02a91f

Download 3D model: Ezetimibe, C₂₄H₂₁F₂NO₃, CAS 163222-33-1 · ENGRAVED (C, H, F, N, O) · 32 MB

Ezetimibe (CAS 163222-33-1), C24H21F2NO3 - 3D ball-and-stick molecular model, MolGod STL preview

MG_876-658-674-14 · normal · 22,464 △ · 1 MB · SHA-256 d281a1dd45ac81c1

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About Ezetimibe

Ezetimibe is a chemical compound registered under number CAS 163222-33-1, with the molecular formula C₂₄H₂₁F₂NO₃, and a molar mass of 409.4 g/mol.

The molecule contains 51 atoms connected by 54 chemical bonds. The full systematic IUPAC name of this compound is (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one. 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 = 4 (positive value, a lipophilic compound), polar surface area PSA = 60.8 Å², 2 donors and 5 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	C₂₄H₂₁F₂NO₃
Molar mass	409.4 g/mol
IUPAC	(3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
SMILES	`C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O`
InChIKey	`OLNTVTPDXPETLC-XPWALMASSA-N`
logP (XLogP3)	4
PSA	60.8 Å²
HBD / HBA	2 / 5
PubChem CID	CID 150311 ↗

GHS safety

Signal word: Warning

GHS09

GHS09

H410 — Very toxic to aquatic life with long lasting effects

Scientific literature

Related literature

2 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

📈 Publication timeline (number of articles: 2)

Bar height = number of articles in a given year. Hover over a bar to see details.

PCSK9 inhibitors and ezetimibe with or without statin therapy for cardiovascular risk reduction: a systematic review and network meta-analysis.

Khan SU, Yedlapati SH, Lone AN et al. (2022) · BMJ (Clinical research ed.)

Review$ PaywallDOI ↗PubMed ↗

Early Ezetimibe Initiation After Myocardial Infarction Protects Against Later Cardiovascular Outcomes in the SWEDEHEART Registry.

Leosdottir M, Schubert J, Brandts J et al. (2025) · Journal of the American College of Cardiology

$ PaywallDOI ↗PubMed ↗

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

Synonyms

Ezetimibe · 163222-33-1 · Zetia · Ezetrol · Ezedoc · Sch 58235 · SCH-58235 · SCH58235 · ezetimiba · EOR26LQQ24 · ezetimibum · MK0653 · NSC-758923 · ezetimib · DTXCID9024223

Data sources

📊 PubChem CID 150311 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

Related molecules

Bromadiolone (CAS 28772-56-7) CAS 28772-56-7 · C30H23BrO4 Shared hazard H410 Chlorophacinone (CAS 3691-35-8) CAS 3691-35-8 · C23H15ClO3 Shared hazard H410 4,4'-(1-Phenylethylidene)bisphenol CAS 1571-75-1 · C20H18O2 Shared hazard H410 2-(Cyclohexylthio)-1H-isoindole-1,3(2H)-dione CAS 17796-82-6 · C14H15NO2S Shared hazard H410 Dopamine (CAS 51-61-6) CAS 51-61-6 · C8H11NO2 Shared hazard H410 Benomyl (CAS 17804-35-2) CAS 17804-35-2 · C14H18N4O3 Shared hazard H410

📜 License & provenanceMolGod_License_1

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

Model: Ezetimibe · 163222-33-1
InChIKey: OLNTVTPDXPETLC-XPWALMASSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — Ezetimibe (CAS 163222-33-1)
License & provenance record: Ezetimibe (CAS 163222-33-1) →
MolGod molecule record: Ezetimibe →
Source data: PubChem CID 150311 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): d281a1dd45ac81c12c282f2439e1b9905b0c768b1265ea43d89221a106553678
MD5 (STL): aef52a815ab97ca579c6edf86fd84005
MolGod Identification Number: MG_876-658-674-14
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: not published yet

📄 Download 3D model: Ezetimibe, C₂₄H₂₁F₂NO₃, CAS 163222-33-1 · NORMAL · 1 MB 📄 Download 3D model: Ezetimibe, C₂₄H₂₁F₂NO₃, CAS 163222-33-1 · ENGRAVED (C, H, F, N, O) · 32 MB

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