chempirical

Artesunate

C19H28O8CAS 88495-63-0384.43 g/mol

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AcetalCarboxylic acidEsterEtherPeroxide

Properties

Molecular formula
C19H28O8
Molar mass
384.43 g/mol
Exact mass
384.1784 Da
Melting point
140–142 °C
logP
2.60Crippen estimate
Polar surface area
100.5 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4
Stereocentres
R, S, R, R, S, R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS 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
InChIKey
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all
  • 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
  • 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

Work with Artesunate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Artemether71963-77-464 % similar Arteether75887-54-660 % similar Dihydroartemisinin71939-50-957 % similar Alpha-Dihydroartemisinin81496-81-357 % similar Artemisinin63968-64-952 % similar Cholesteryl hemisuccinate1510-21-037 % similar Succinic acid menthol monoester77341-67-431 % similar Lithocholic acid434-13-931 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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