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Chemistry

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Also known as: 5749-67-7, Carbaspirin calcium, Alcacyl, Rheomin, Solupsan, Iromin
Molecular Formula
C19H18CaN2O9
Molecular Weight
458.4  g/mol
InChI Key
VYMUGTALCSPLDM-UHFFFAOYSA-L
FDA UNII
N667F17JP1

Carbaspirin Calcium
1 2D Structure

Carbaspirin Calcium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;2-acetyloxybenzoate;urea
2.1.2 InChI
InChI=1S/2C9H8O4.CH4N2O.Ca/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;2-1(3)4;/h2*2-5H,1H3,(H,11,12);(H4,2,3,4);/q;;;+2/p-2
2.1.3 InChI Key
VYMUGTALCSPLDM-UHFFFAOYSA-L
2.1.4 Canonical SMILES
CC(=O)OC1=CC=CC=C1C(=O)[O-].CC(=O)OC1=CC=CC=C1C(=O)[O-].C(=O)(N)N.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
N667F17JP1
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Calcium Acetylsalicylate Complex With Urea

2. Calcium Acetylsalicylic Carbamidate

3. Calcium Carbasalate

4. Calurin

5. Carbaspirin Calcium

6. Carbosalate Calcium

2.3.2 Depositor-Supplied Synonyms

1. 5749-67-7

2. Carbaspirin Calcium

3. Alcacyl

4. Rheomin

5. Solupsan

6. Iromin

7. Omegin

8. Calcium Carbaspirin

9. Carbaspirin Calcium [usan]

10. Calcium Acetylsalicylate Complex With Urea

11. Carbasalate Calcium [inn]

12. N667f17jp1

13. Benzoic Acid, 2-(acetyloxy)-, Calcium Salt, Compd. With Urea (1:1)

14. Salicylic Acid Acetate Calcium Salt, Compound With Urea (1:1) Complex

15. Carbasalate Calcium (inn)

16. Carbaspirin Calcium (usan)

17. Carbasalate Calcique

18. Calpirinsan

19. Carbasalatcalcium

20. Carbaspirin Calium

21. Calcium;2-acetyloxybenzoate;urea

22. Carbasalato Calcico

23. Carbasalatum Calcicum

24. Unii-n667f17jp1

25. Carbasalate Calcique [inn-french]

26. Carbasalato Calcico [inn-spanish]

27. Carbasalatum Calcicum [inn-latin]

28. Carbasalate?calcium

29. Calcium; 2-acetyloxybenzoate; Urea

30. Einecs 227-273-0

31. Chembl3833325

32. Dtxsid90206099

33. Alcacyl; Rheomin; Solupsan; Omegin

34. Bcp12255

35. Carbasalate Calcium [mart.]

36. Carbasalate Calcium [who-dd]

37. Akos015895683

38. Akos025401461

39. Db13612

40. Calcium Acetylsalicylate Carbamide

41. Ac-18297

42. As-13259

43. Carbasalate Calcium [ep Monograph]

44. D03385

45. A831468

46. Q2203957

47. Calcium Acetylsalicylate Complex With Urea [mi]

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 458.4 g/mol
Molecular Formula C19H18CaN2O9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass458.0638210 g/mol
Monoisotopic Mass458.0638210 g/mol
Topological Polar Surface Area202 Ų
Heavy Atom Count31
Formal Charge0
Complexity235
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4
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.)


4.2 ATC Code

B - Blood and blood forming organs

B01 - Antithrombotic agents

B01A - Antithrombotic agents

B01AC - Platelet aggregation inhibitors excl. heparin

B01AC08 - Carbasalate calcium


N - Nervous system

N02 - Analgesics

N02B - Other analgesics and antipyretics

N02BA - Salicylic acid and derivatives

N02BA15 - Carbasalate calcium


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