Artesunate

C₁₉H₂₈O₈ — CID 6917864

About Artesunate

Artesunate (PubChem CID 6917864) has the molecular formula C₁₉H₂₈O₈ and a molecular weight of 384.43 g/mol. Its IUPAC name is 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid.

Molecular Properties

• Compound Name: Artesunate
• PubChem CID: 6917864
• Molecular Formula: C₁₉H₂₈O₈
• Molecular Weight: 384.43 g/mol
• Exact Mass: 384.18
• IUPAC Name: 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid
• SMILES: C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
• InChI: InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1
• InChIKey: FIHJKUPKCHIPAT-AHIGJZGOSA-N
• XLogP: 2.60
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.43
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Artesunate?

The IUPAC name of Artesunate (CID 6917864) is 4-oxo-4-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid.

What is the SMILES notation for Artesunate?

The canonical SMILES for Artesunate is C[C@H]1[C@H](OC(=O)CCC(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3.

What is the InChIKey of Artesunate?

The InChIKey is FIHJKUPKCHIPAT-AHIGJZGOSA-N. The full InChI is InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1.

What are the key properties of Artesunate?

Artesunate has a molecular weight of 384.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Artesunate is sourced from PubChem (CID 6917864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6917864 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 247 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.