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Molecule
Artesunate
CAS: 88495-63-0 · C19H28O8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 88495-63-0
- Molecular Formula
- C19H28O8
- Molecular Mass
- 384.43 g/mol
Identifiers
CAS Registry Number
88495-63-0
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 Key
FIHJKUPKCHIPAT-AHIGJZGOSA-N
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
Names and Synonyms
- Artesunate Common Name
- Butanedioic acid, 1-[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester Synonym
- Butanedioic acid, mono(decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl) ester, [3R-(3α,5aβ,6β,8aβ,9α,10β,12β,12aR*)]- Synonym
- Butanedioic acid, mono[(3R,5aS,6R,8aS,9R,10S,12R,12aR)-decahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin-10-yl] ester Synonym
- 3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, butanedioic acid deriv. Synonym
- Artesunic acid Synonym
- Artesunate Synonym
- Qinghaozhi Synonym
- WR 256283 Synonym
- Arsumax Synonym
- Dihydroqinghasu hemsuccinate Synonym
- Plasmotrin Synonym
- Artesunata Synonym
- Cosunate Synonym
- Gsunate Forte Synonym
- Zysunate Synonym
- Arinate Synonym
- Saphnate Synonym
- Armax 200 Synonym
- Plasmotrim Synonym
- Asumax Synonym
- Arsuamoon Synonym
- α-Artesunic acid Synonym
- Artecan Synonym
- NSC 712571 Synonym
- HC 101B Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.43 g/mol | CAS Common Chemistry |
| 384.4250000000002 g/mol | RDKit | |
| 384.425 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CCC(=O)OC1OC2OC3(OOC24C(CC3)C(C)CCC4C1C)C | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=FIHJKUPKCHIPAT-AHIGJZGOSA-N | CAS Common Chemistry |
| Melting Point | 140-142 °C | CAS Common Chemistry |
| Name | Artesunate | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.52000000000002 Ų | RDKit |
| 100.52 Ų | RDKit | |
| LogP | 2.6024000000000003 | RDKit |
| 2.6024 | RDKit | |
| Molar Refractivity | 89.78980000000007 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8947 | RDKit |
| 0.89 | chempirical lib | |
| Exact Mass | 384.17841785599995 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 384.43 g/mol. Edit any field — others recompute live.
