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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
Names and Synonyms:
Artesunate
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
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*)]-
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
3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, butanedioic acid deriv.
Artesunic acid
Artesunate
Qinghaozhi
WR 256283
Arsumax
Dihydroqinghasu hemsuccinate
Plasmotrin
Artesunata
Cosunate
Gsunate Forte
Zysunate
Arinate
Saphnate
Armax 200
Plasmotrim
Asumax
Arsuamoon
α-Artesunic acid
Artecan
NSC 712571
HC 101B
Identifiers:
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
Key Properties
Melting Point
140-142 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 384.43 g/mol | CAS Common Chemistry |
| 384.4250000000002 g/mol | RDKit | |
| 384.17841785599995 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 |
| LogP | 2.6024000000000003 | RDKit |
| Molar Refractivity | 89.78980000000007 | RDKit |
