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ACTIVE PHARMA INGREDIENTS

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Synopsis

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Chemistry

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Also known as: 8000-10-0, Sodium theophylline glycinate, Pemophyllin, Asbron, Bronchoparat, Glytheonate

Molecular Formula

C₉H₁₂N₅NaO₄

Molecular Weight

277.21 g/mol

InChI Key

AIJQWRAOMFRHTQ-UHFFFAOYSA-M

FDA UNII

2S36N8T753

A methyl xanthine derivative from tea with diuretic, smooth muscle relaxant, bronchial dilation, cardiac and central nervous system stimulant activities. Theophylline inhibits the 3',5'-CYCLIC NUCLEOTIDE PHOSPHODIESTERASE that degrades CYCLIC AMP thus potentiates the actions of agents that act through ADENYLYL CYCLASES and cyclic AMP.

1 2D Structure

Theophylline Sodium Glycinate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-aminoacetate;1,3-dimethyl-7H-purine-2,6-dione

2.1.2 InChI

InChI=1S/C7H8N4O2.C2H5NO2.Na/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2(4)5;/h3H,1-2H3,(H,8,9);1,3H2,(H,4,5);/q;;+1/p-1

2.1.3 InChI Key

AIJQWRAOMFRHTQ-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(C(=O)[O-])N.[Na+]

2.2 Other Identifiers

2.2.1 UNII

2S36N8T753

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,3 Dimethylxanthine

2. 1,3-dimethylxanthine

3. 3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione

4. Accurbron

5. Aerobin

6. Aerolate

7. Afonilum Retard

8. Anhydrous, Theophylline

9. Aquaphyllin

10. Armophylline

11. Bronchoparat

12. Bronkodyl

13. Constant T

14. Constant-t

15. Constantt

16. Ct, Theo Von

17. Elixophyllin

18. Euphylong

19. Glycinate, Theophylline Sodium

20. Glycine Theophyllinate

21. Lodrane

22. Monospan

23. Nuelin

24. Nuelin S.a.

25. Quibron T Sr

26. Quibron T-sr

27. Quibron Tsr

28. Slo Phyllin

29. Slo-phyllin

30. Slophyllin

31. Sodium Glycinate, Theophylline

32. Somophyllin T

33. Somophyllin-t

34. Somophyllint

35. Sustaire

36. Synophylate

37. Theo 24

38. Theo Dur

39. Theo Von Ct

40. Theo-24

41. Theo-dur

42. Theo24

43. Theobid

44. Theocin

45. Theoconfin Continuous

46. Theodur

47. Theolair

48. Theolix

49. Theon

50. Theonite

51. Theopek

52. Theophyllinate, Glycine

53. Theophylline

54. Theophylline Anhydrous

55. Theospan

56. Theostat

57. Theovent

58. Uniphyl

59. Uniphyllin

60. Uniphylline

61. Von Ct, Theo

2.3.2 Depositor-Supplied Synonyms

1. 8000-10-0

2. Sodium Theophylline Glycinate

3. Pemophyllin

4. Asbron

5. Bronchoparat

6. Glytheonate

7. Panophylline

8. Englate

9. Theonate Sodium

10. Glycin Theophyllinate

11. Sodium;2-aminoacetate;1,3-dimethyl-7h-purine-2,6-dione

12. Theophylline Sodium Glycinate [usp]

13. 2s36n8t753

14. 10092-68-9

15. Glycine, Mixt. With 3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione, Monosodium Salt

16. Theophylline Sodium Glycinate (usp)

17. Bronchoparat; Englate; Glycin Theophyllinate; Glytheonate; Panophylline; Pemophyllin

18. Glycine, Sodium Salt, Compd. With Theophylline

19. Theophylline Sodium Mixture With Glycine

20. Unii-2s36n8t753

21. Asbron (tn)

22. Schembl122089

23. Chembl1200578

24. Dtxsid60905845

25. Theophylline Sodium Aminoacetate

26. Theophylline Sodium Glycinate [mi]

27. Theophylline Sodium Glycinate [vandf]

28. D06104

29. Theophylline Sodium Aminoacetate [who-dd]

30. Theophylline Sodium Glycinate [orange Book]

31. Theophylline Sodium Glycinate [usp Monograph]

32. Q27255528

33. Glycine, Mixt. With 3,9-dihydro-1,3-dimethyl-1h-purine-2,6-dione Sodium Salt (1:1)

34. Sodium Aminoacetate--1,3-dimethyl-3,9-dihydro-1h-purine-2,6-dione (1/1/1)

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂N₅NaO₄
Molecular Weight	277.21 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	277.07869816 g/mol
Monoisotopic Mass	277.07869816 g/mol
Topological Polar Surface Area	135 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	314
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Bronchodilator Agents

Agents that cause an increase in the expansion of a bronchus or bronchial tubes. (See all compounds classified as Bronchodilator Agents.)

Phosphodiesterase Inhibitors

Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases. (See all compounds classified as Phosphodiesterase Inhibitors.)

Purinergic P1 Receptor Antagonists

Compounds that bind to and block the stimulation of PURINERGIC P1 RECEPTORS. (See all compounds classified as Purinergic P1 Receptor Antagonists.)

Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)

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