Avanafil

CAS 330784-47-9  ·  C23H26ClN7O3  ·  MW 483.9 g/mol

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3D model Avanafil, CAS 330784-47-9, molecular formula C23H26ClN7O3, molar mass 483.9 g/mol
About Avanafil

Avanafil is a chemical compound registered under number CAS 330784-47-9, with the molecular formula C23H26ClN7O3, and a molar mass of 483.9 g/mol.

The molecule contains 60 atoms connected by 63 chemical bonds. The full systematic IUPAC name of this compound is 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide. 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 = 125 Ų, 3 donors and 9 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 formulaC23H26ClN7O3
Masa molowa483.9 g/mol
IUPAC4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCOC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl
InChIKeyWEAJZXNPAWBCOA-INIZCTEOSA-N
logP (XLogP3)2.6
PSA125 Ų
HBD / HBA3 / 9
PubChem CIDCID 9869929 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

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

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

📈 Publication timeline (17 articles)

2011: 1 articles20112015: 1 articles2017: 1 articles20172022: 1 articles2025: 1 articles2025

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(2011) · Musing
Cytowania: 1$ PaywallDOI ↗

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

Synonyms
Avanafil · 330784-47-9 · STENDRA · Spedra · TA-1790 · TA 1790 · Avanafilo · DR5S136IVO · CHEBI:66876 · avanafilum · RefChem:54352 · DTXCID90109218 · G04BE10 · UNII-DR5S136IVO · MFCD11977961
Data sources
Related molecules
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📜 License & provenanceMolGod_License_1
Model
Avanafil · 330784-47-9
License
CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
License & provenance record
Avanafil (CAS 330784-47-9) →
MolGod molecule record
Avanafil →
Source data
PubChem CID 9869929 ↗
SHA-256 (STL)
a098ce53ad44865804f8d69bf4ef338534d235a90750383224669cd331c7d5cd
Wikimedia Commons
not published yet
📄 Download 3D model (1 MB)

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