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FINISHED DOSAGE FORMULATIONS

2 FDF Dossiers, 2 South Africa

2 FDF Dossiers
2 South Africa

Synopsis

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Chemistry

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Also known as: Bufylline, 5634-34-4, Butaphyllamine, Ambuphylline [usan], Theophylline-2-aminoisobutanol, Vou5v0b772

Molecular Formula

C₁₁H₁₉N₅O₃

Molecular Weight

269.30 g/mol

InChI Key

SEIRRUDMPNNSCY-UHFFFAOYSA-N

FDA UNII

VOU5V0B772

1 2D Structure

Bufylline

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione

2.1.2 InChI

InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3

2.1.3 InChI Key

SEIRRUDMPNNSCY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(CO)N.CN1C2=C(C(=O)N(C1=O)C)NC=N2

2.2 Other Identifiers

2.2.1 UNII

VOU5V0B772

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bufylline

2. Theophylline Aminoisobutanol

2.3.2 Depositor-Supplied Synonyms

1. Bufylline

2. 5634-34-4

3. Butaphyllamine

4. Ambuphylline [usan]

5. Theophylline-2-aminoisobutanol

6. Vou5v0b772

7. Theophylline Compound With 2-amino-2-methyl-1-propanol (1:1)

8. 1h-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, Compd. With 2-amino-2-methyl-1-propanol (1:1)

9. Ambuphylline (usan)

10. Buthoid

11. 2-amino-2-methylpropan-1-ol;1,3-dimethyl-7h-purine-2,6-dione

12. Theophylline Aminoisobutanol

13. Einecs 227-077-5

14. Unii-vou5v0b772

15. 1-propanol, 2-amino-2-methyl-, Compd. With Theophylline (1:1)

16. Bufylline (ban)

17. Butaphyllamine (tn)

18. Theophylline, Compd. With 2-amino-2-methyl-1-propanol (1:1)

19. Ambuphylline [mi]

20. Bufylline [mart.]

21. 3,7-dihydro-1,3-dimethyl-1h-purine-2,6-dione, Compound With 2-amino-2-methylpropan-1-ol (1:1)

22. Ambuphylline [who-dd]

23. Schembl355316

24. Chembl2104089

25. Dtxsid60204880

26. Akos016340427

27. Db13812

28. Ks-1324

29. Hy-105647

30. Cs-0026398

31. D02884

32. 634t344

33. Q4741993

34. 1,3-dimethyl-1h-purine-2,6(3h,7h)-dione Compound With 2-amino-2-methylpropan-1-ol (1:1)

35. 1,3-dimethyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione; 2-amino-2-methylpropan-1-ol

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₉N₅O₃
Molecular Weight	269.30 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	269.14878949 g/mol
Monoisotopic Mass	269.14878949 g/mol
Topological Polar Surface Area	116 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	310
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	2

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Vasodilator Agents

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

Bronchodilator Agents

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

4.2 ATC Code

R - Respiratory system

R03 - Drugs for obstructive airway diseases

R03D - Other systemic drugs for obstructive airway diseases

R03DA - Xanthines

R03DA10 - Bufylline

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Bufylline

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