atovaquone

chemical compound

Class type of: chemical compound Q418179

Facts

14 properties

Instance of: type of chemical entity
Subclass of: chemical compound
Has use: medication
Active ingredient in: Mepron
Canonical SMILES: C1=CC2=C(C=C1)C(=O)C(=C(C2=O)C3CCC(CC3)C4=CC=C(C=C4)Cl)O
Chemical formula: C₂₂H₁₉ClO₃
Defined daily dose: +2.25
Isomeric SMILES: C1=CC2=C(C=C1)C(=O)C(=C(C2=O)[C@H]3CC[C@@H](CC3)C4=CC=C(C=C4)Cl)O
LiverTox likelihood score: LiverTox toxicity likelihood category D
Mass: +366.1023
Medical condition treated: pneumocystosis, Babesiosis
Melting point: +222
Subject has role: enzyme inhibitor, DNA polymerase inhibitors, anti-infective agent, antimalarial, malaria prophylaxis, bactericide
World Health Organisation international non-proprietary name: atovaquone

🏷️ Also known as

en Atovaquone en Mepron en Wellvone en 2-(trans-4-(P-Chlorophenyl)cyclohexyl)-3-hydroxy-1,4-naphthoquinone en 566C en 566C80 en Acuvel en atovaquone ar أتوفاكوين ar اتوفاكوين de Atovaquon es Atovacuona es Atovaquona fa آتوواکون fi atovakoni fr 95233-18-4 fr C22H19ClO3 ja アトバコン ko 메프론 ko 아토바쿠온

🔖 Identifiers · 43

OpenAlex ID: C2779124865
ATC code: P01AX06
Bibliothèque nationale de France ID: 125209722
CAS Registry Number: 95233-18-4
ChEBI ID: 575568
ChEMBL ID: CHEMBL1450
ChemSpider ID: 10482034
DSSTOX compound identifier: DTXCID602629
DSSTox substance ID: DTXSID7022629
DeCS ID: 52171
DrugBank ID: DB01117
EC number: 630-425-2

Show all 43 identifiers +31

ECHA Substance Infocard ID: 100.158.738
Freebase ID: /m/087zgp
Guide to Pharmacology Ligand ID: 9695
HSDB ID: 7083
Human Metabolome Database ID: HMDB0015249
IdRef ID: 034455442, 114611459
InChI: InChI=1S/C22H19ClO3/c23-16-11-9-14(10-12-16)13-5-7-15(8-6-13)19-20(24)17-3-1-2-4-18(17)21(25)22(19)26/h1-4,9-13,15,26H,5-8H2/t13-,15-
InChIKey: KUCQYCKVKVOKAY-CTYIDZIISA-N
KEGG ID: D00236
LiverTox ID: Atovaquone
MeSH descriptor ID: D053626
MeSH tree code: D02.806.550.312, D04.615.638.721.186
MedlinePlus drug identifier: a693003
Microsoft Academic ID (discontinued): 2779124865
NDF-RT ID: N0000148284
NSC number: 759582
PDB ligand ID: AOQ
PDB structure ID: 4PD4
PatientsLikeMe treatment ID: atovaquone
Probes And Drugs ID: PD001232
PubChem CID: 74989
Reaxys registry number: 8076827
RxNorm CUI: 60212
SPLASH: splash10-066r-0968000000-4d83793ef10d849ce35e
ScienceDirect topic ID: agricultural-and-biological-sciences/atovaquone
SureChEMBL ID: 21694
UMLS CUI: C0165603
UNII: Y883P1Z2LT
UNSPSC code: 51101601
UniChem compound ID: 935713
WikiProjectMed ID: Atovaquone

Report an error or request removal Lineage (PROV-JSON)

🔗 Connections

Subject has role 5

bactericide, enzyme inhibitor, antimalarial, DNA polymerase inhibitors, malaria prophylaxis

← Drug or therapy used for treatment 4

malaria, Babesiosis, pneumocystis pneumonia, pneumocystosis

Medical condition treated 2

Babesiosis, pneumocystosis

Belongs to 1

atovaquone/proguanil

Has use 1

medication

Subclass of 1

chemical compound

Press Enter · cited answer in seconds

Summary

atovaquone is a type of chemical entity^[1].

Key Facts

Canonical SMILES: C1=CC2=C(C=C1)C(=O)C(=C(C2=O)C3CCC(CC3)C4=CC=C(C=C4)Cl)O^[2]
Chemical formula: C₂₂H₁₉ClO₃^[3]
Subclass of: chemical compound^[4]
Has use: medication^[5]
Isomeric SMILES: C1=CC2=C(C=C1)C(=O)C(=C(C2=O)[C@H]3CCC@@HC4=CC=C(C=C4)Cl)O^{C@@HC4=CC=C(C=C4)Cl)O">[6]}
Mass: 366.1023 dalton^[7]
Melting point: 222 °C^[8]
Medical condition treated: pneumocystosis^[9], Babesiosis^[10]
World Health Organisation international non-proprietary name: atovaquone^[11]
Subject has role: enzyme inhibitor^[12], DNA polymerase inhibitors^[13], anti-infective agent^[14], antimalarial^[15], malaria prophylaxis^[16], bactericide^[17]
Active ingredient in: Mepron^[18]
Defined daily dose: 2.25 g^[19]
LiverTox likelihood score: LiverTox toxicity likelihood category D^[20]

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

[2] ↑ atovaquone — canonical SMILES (P233): C1=CC2=C(C=C1)C(=O)C(=C(C2=O)C3CCC(CC3)C4=CC=C(C=C4)Cl)O. Global Substance Registration System. Retrieved 2016-11-18. wikidata.org.
[3] ↑ atovaquone — chemical formula (P274): C₂₂H₁₉ClO₃. DrugBank. wikidata.org.
[4] ↑ atovaquone — subclass of (P279): chemical compound. wikidata.org.
[5] ↑ atovaquone — has use (P366): medication. DrugBank. wikidata.org.
[6] ↑ atovaquone — isomeric SMILES (P2017): C1=CC2=C(C=C1)C(=O)C(=C(C2=O)[C@H]3CC[C@@H](CC3)C4=CC=C(C=C4)Cl)O. Global Substance Registration System. Retrieved 2016-11-18. wikidata.org.
[7] ↑ atovaquone — mass (P2067): 366.1023 dalton. ChEMBL. Retrieved 2016-11-18. wikidata.org.
[8] ↑ atovaquone — melting point (P2101): 222 °C. wikidata.org.
[9] ↑ atovaquone — medical condition treated (P2175): pneumocystosis. NDF-RT. Retrieved 2016-12-13. wikidata.org.
[10] ↑ atovaquone — medical condition treated (P2175): Babesiosis. Drug Indications Extracted from FAERS. Retrieved 2018-10-02. wikidata.org.
[11] ↑ atovaquone — World Health Organisation international non-proprietary name (P2275): atovaquone. ChEBI. Retrieved 2016-10-19. wikidata.org.
[12] ↑ atovaquone — subject has role (P2868): enzyme inhibitor. NDF-RT. Retrieved 2018-03-05. wikidata.org.
[13] ↑ atovaquone — subject has role (P2868): DNA polymerase inhibitors. NDF-RT. Retrieved 2018-03-05. wikidata.org.
[14] ↑ atovaquone — subject has role (P2868): anti-infective agent. Medical Subject Headings. Retrieved 2018-03-15. wikidata.org.
[15] ↑ atovaquone — subject has role (P2868): antimalarial. Medical Subject Headings. Retrieved 2018-03-15. wikidata.org.
[16] ↑ atovaquone — subject has role (P2868): malaria prophylaxis. wikidata.org.
[17] ↑ atovaquone — subject has role (P2868): bactericide. ChEBI. wikidata.org.
[18] ↑ atovaquone — active ingredient in (P3780): Mepron. RxNorm. Retrieved 2018-02-14. wikidata.org.
[19] ↑ atovaquone — defined daily dose (P4250): 2.25 g. whocc.no. whocc.no. Provenance: wikidata.org.
[20] ↑ atovaquone — LiverTox likelihood score (P8026): LiverTox toxicity likelihood category D. LiverTox. Retrieved 2021-04-08. ncbi.nlm.nih.gov. Provenance: wikidata.org.

Class ancestry

[1] ↑ atovaquone is an instance of type of chemical entity (Q113145171) [P31, primary]. Wikidata. wikidata.org.

📑 Cite this page

Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA 4ort.xyz Knowledge Graph. (2026). atovaquone. Retrieved November 5, 2026, from https://4ort.xyz/entity/atovaquone

MLA “atovaquone.” 4ort.xyz Knowledge Graph, 4ort.xyz, 5 Nov. 2026, https://4ort.xyz/entity/atovaquone.

BibTeX

@misc{4ortxyz_atovaquone_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{atovaquone}}, year = {2026}, url = {https://4ort.xyz/entity/atovaquone}, note = {Accessed: 2026-11-05}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): atovaquone — https://4ort.xyz/entity/atovaquone (retrieved 2026-11-05)

Canonical URL: https://4ort.xyz/entity/atovaquone · Last refreshed: November 5, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

20w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Defined daily dose → {'unit': 'Q41803', 'amount': '+2.25'}

Instance of → type of chemical entity

Has use → medication

LiverTox likelihood score → LiverTox toxicity likelihood category D

+ 9 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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