C.I. Acid Violet 43

CAS 4430-18-6  ·  C₂₁H₁₄NNaO₆S  ·  MW 431.4 g/mol

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3D model C.I. Acid Violet 43, CAS 4430-18-6, molecular formula C₂₁H₁₄NNaO₆S, molar mass 431.4 g/mol
About C.I. Acid Violet 43

C.I. Acid Violet 43 is a chemical compound registered under number CAS 4430-18-6, with the molecular formula C₂₁H₁₄NNaO₆S, and a molar mass of 431.4 g/mol.

The molecule contains 44 atoms connected by 47 chemical bonds. The full systematic IUPAC name of this compound is sodium 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate. 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, polar surface area PSA = 132 Ų, 2 donors and 7 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 formulaC₂₁H₁₄NNaO₆S
Molar mass431.4 g/mol
IUPACsodium 2-[(4-hydroxy-9,10-dioxoanthracen-1-yl)amino]-5-methylbenzenesulfonate
SMILESCC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)[O-].[Na+]
InChIKeyGTKIEPUIFBBXJQ-UHFFFAOYSA-M
logP (XLogP3)—
PSA132 Ų
HBD / HBA2 / 7
PubChem CIDCID 23669622 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
Scientific literature

Related literature

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

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

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

Synonyms
ACID VIOLET 43 · 4430-18-6 · C.I. Acid Violet 43 · CI 60730 · G5UX3K0728 · NSC-47721 · Murasaki 401 · RefChem:552649 · DTXCID4021717 · 224-618-7 · ACIDVIOLET43 · 11362 Violet · Allzurol Purple · Solway Purple R · Solway Purple RA
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/23669622
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
C.I. Acid Violet 43 (CAS 4430-18-6), C₂₁H₁₄NNaO₆S - 3D ball-and-stick molecular model, engraved element symbols (C H N Na O S), MolGod STL previewDownload image

MG-STL-4430-18-6-ENGRAVED · 643,376 △ · 31 MB · SHA-256 58136c9c48c11875

Download 3D model · ENGRAVED · C H N Na O S

C.I. Acid Violet 43 (CAS 4430-18-6), C₂₁H₁₄NNaO₆S - 3D ball-and-stick molecular model, MolGod STL previewDownload image

MG-STL-4430-18-6-NORMAL · 19,744 △ · 964 KB · SHA-256 7d7919120e6ca3c8

Download 3D model

Model
C.I. Acid Violet 43 · 4430-18-6
InChIKey
GTKIEPUIFBBXJQ-UHFFFAOYSA-M
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — C.I. Acid Violet 43 (CAS 4430-18-6)
License & provenance record
C.I. Acid Violet 43 (CAS 4430-18-6) →
MolGod molecule record
C.I. Acid Violet 43 →
Source data
PubChem CID 23669622 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
7d7919120e6ca3c88cfc5a748291bc9347f2a68a0753d4dcef0221b0ef94021f
MD5 (STL)
9079d97c2b2608d260c16aeb18e51b21
Model identifier
MG-STL-4430-18-6
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
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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