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Chemistry

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Also known as: 275-51-4, Cyclopentacycloheptene, Azunamic, Bicyclo[5.3.0]decapentaene, Azulen, Bicyclo(5.3.0)decapentaene
Molecular Formula
C10H8
Molecular Weight
128.17  g/mol
InChI Key
CUFNKYGDVFVPHO-UHFFFAOYSA-N
FDA UNII
82R6M9MGLP

Azulene
azulene is a natural product found in Anthemis cretica, Achillea millefolium, and other organisms with data available.
1 2D Structure

Azulene

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
azulene
2.1.2 InChI
InChI=1S/C10H8/c1-2-5-9-7-4-8-10(9)6-3-1/h1-8H
2.1.3 InChI Key
CUFNKYGDVFVPHO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C=CC=C2C=C1
2.2 Other Identifiers
2.2.1 UNII
82R6M9MGLP
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Azulekeep

2. Cyclopentacycloheptene

2.3.2 Depositor-Supplied Synonyms

1. 275-51-4

2. Cyclopentacycloheptene

3. Azunamic

4. Bicyclo[5.3.0]decapentaene

5. Azulen

6. Bicyclo(5.3.0)decapentaene

7. Azulene, Homopolymer

8. Bicyclo(5.3.0)-1,3,5,7,9-decapentaene

9. Bicyclo(5.3.0)-deca-2,4,6,8,10-pentaene

10. 82r6m9mglp

11. Chebi:31249

12. Azulene (jan)

13. Nsc-89248

14. Azulene [jan]

15. Einecs 205-993-6

16. 82451-56-7

17. Mfcd00003810

18. Nsc 89248

19. Unii-82r6m9mglp

20. Azulene, 99%

21. Azulene [inci]

22. Azulene [mi]

23. Azulene [mart.]

24. Azulene [who-dd]

25. Bicyclo(5.3.0)-deca-1,3,5,7,9-pentaene

26. Azulene, Analytical Standard

27. Azusalen [as Sodium Sulfonate]

28. Chembl3272628

29. Dtxsid2059770

30. Hy-b0055

31. Nsc89248

32. Zinc1570209

33. Akos015840881

34. Cs-15638

35. Bicyclo[5.3.0]-1,5,7,9-decapentaene

36. Db-047243

37. A0634

38. Bicyclo(0.3.5)deca-1,3,5,7,9-pentaene

39. Cs-0006517

40. Ft-0622537

41. Azulene, Standard For Gc, >=99.0% (gc)

42. Bicyclo[5.3.0]deca-2,4,6,8,10-pentaene

43. C13408

44. D09768

45. A819116

46. Q144362

47. Sr-01000944574

48. J-016811

49. Sr-01000944574-1

50. Bicyclo-(0.3.5)-deca-1,3,5,7,9-pentaene

51. Bicyclo-(5.3.0)-deca-2,4,6,8,10-pentaene

2.4 Create Date
2004-09-16
3 Chemical and Physical Properties
Molecular Weight 128.17 g/mol
Molecular Formula C10H8
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass128.062600255 g/mol
Monoisotopic Mass128.062600255 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count10
Formal Charge0
Complexity94.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Inflammatory Agents, Non-Steroidal

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)


API Reference Price

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02-Apr-2021
17-Sep-2022
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