Warfarin (CAS 81-81-2)

Warfarin

CAS 81-81-2  ·  C19H16O4  ·  MW 308.3 g/mol

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3D model Warfarin, CAS 81-81-2, molecular formula C19H16O4, molar mass 308.3 g/mol
About Warfarin (CAS 81-81-2)

Warfarin (CAS 81-81-2) is a chemical compound registered under number CAS 81-81-2, with the molecular formula C19H16O4, and a molar mass of 308.3 g/mol.

The molecule contains 39 atoms connected by 41 chemical bonds. The full systematic IUPAC name of this compound is 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-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 = 2.7 (positive value, a lipophilic compound), polar surface area PSA = 63.6 Ų, 1 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 formulaC19H16O4
Masa molowa308.3 g/mol
IUPAC4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
SMILESCC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
InChIKeyPJVWKTKQMONHTI-UHFFFAOYSA-N
logP (XLogP3)2.7
PSA63.6 Ų
HBD / HBA1 / 4
PubChem CIDCID 54678486 ↗
GHS safety

Signal word: Danger

GHS06
GHS06
GHS08
GHS08
GHS09
GHS09

? — H360D

H330 — Wdychanie grozi śmiercią

H310 — Grozi śmiercią w kontakcie ze skórą

H300 — Połknięcie grozi śmiercią

H372 — Powoduje uszkodzenie narządów poprzez długotrwałe lub powtarzane narażenie

H411 — Działa toksycznie na organizmy wodne, powodując długotrwałe skutki

Scientific literature

Related literature

20 articles · 19 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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

📈 Publication timeline (20 articles)

1977: 1 articles19772001: 1 articles2003: 2 articles2007: 2 articles2008: 1 articles2009: 1 articles2011: 1 articles20112013: 2 articles2015: 1 articles2017: 1 articles2024: 1 articles2025: 1 articles2026: 5 articles2026

Bar height = number of articles per year. Hover dla szczegółów.

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

Synonyms
warfarin · 81-81-2 · Coumafene · Zoocoumarin · Coumafen · Brumolin · Coumefene · Dethmor · Kumader · Warfarine · Kumadu · Vampirinip II · Coumarins · Kypfarin · Rodafarin
Data sources
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Related molecules
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License & Provenance

MolGod 3D molecular model
Warfarin — CAS 81-81-2

License: CC BY-SA 4.0 (source rights NIEUSTALONE — not yet granted for this model)

MolGod License & Provenance Record:
Warfarin (CAS 81-81-2) — License & Provenance

Source:
Warfarin (CAS 81-81-2) — MolGod molecule record

Source data: PubChem CID 54678486

STL: Download 3D model (802 KB)

SHA-256: 602ae36a569a8d9c5fd6d2c30076fc1480b7b262aceeff1e701be214e1233484

Wikimedia Commons: not published yet

Source data: PubChem CID 54678486

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