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2D Structure
Also known as: Artenimol, Dihydroqinghaosu, Cotecxin, Cotexin, Dynamax, Salaxin
Molecular Formula
C15H24O5
Molecular Weight
284.35  g/mol
InChI Key
BJDCWCLMFKKGEE-KXTPALSWSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(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-ol
2.1.2 InChI
InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14?,15-/m1/s1
2.1.3 InChI Key
BJDCWCLMFKKGEE-KXTPALSWSA-N
2.1.4 Canonical SMILES
CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C
2.1.5 Isomeric SMILES
C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)O)C
2.2 Synonyms
2.2.1 MeSH Synonyms

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-ol

2. 3alpha-hydroxydeoxydihydroartemisinin

3. 8alpha-hydroxydeoxyartemisinin

4. 9alpha-hydroxydeoxyartemisinin

5. Alaxin

6. Artemisinin, Dihydro-

7. Artenimol

8. Cotecxin

9. Cotexin

10. Dihydroartemisinine

11. Dihydroqinghaosu

12. Dihydroquinghaosu

13. Dihydroquinghaosu, (3r-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12alpha,12ar*))-isomer

14. Dihydroquinghaosu, (3r-(3alpha,5abeta,6beta,8abeta,9alpha,10beta,12alpha,12ar*))-isomer

15. Quinghaosu, Dihydro-

16. Salaxin

17. Santecxin

2.2.2 Depositor-Supplied Synonyms

1. Artenimol

2. Dihydroqinghaosu

3. Cotecxin

4. Cotexin

5. Dynamax

6. Salaxin

7. Santecxin

8. Alaxin

9. 71939-50-9

10. Chembl307261

11. Dihydroartemisinine

12. Artenimol [inn]

13. 81496-81-3

14. Beta-dihydroartemisinin

15. Artenimol (inn)

16. Artemisinin, Dihydro

17. Dhqhs 2

18. Dihydroquinghoasu

19. Unii-6a9o50735x

20. 6a9o50735x

21. 81496-82-4

22. Dihydroartemisinin + Proveblue

23. Schembl2132158

24. Jav-110

25. Act02652

26. Bdbm50578409

27. Vm3352

28. Akos015962875

29. Akos026749923

30. Ac-2067

31. D3793

32. D07362

33. [3r-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12ar*)]-decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12h-pyrano[4.3-j]-1,2-benzodioxepin

34. 3,12-epoxy-12h-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, Decahydro-3,6,9-trimethyl-, (3r-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12ar*))-

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 284.35 g/mol
Molecular Formula C15H24O5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass284.16237386 g/mol
Monoisotopic Mass284.16237386 g/mol
Topological Polar Surface Area57.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity415
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antimalarials

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585) (See all compounds classified as Antimalarials.)


4.2 ATC Code

P - Antiparasitic products, insecticides and repellents

P01 - Antiprotozoals

P01B - Antimalarials

P01BE - Artemisinin and derivatives, plain

P01BE05 - Artenimol