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Bufylline
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 Weight 269.30 g/mol
Molecular Formula C11H19N5O3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass269.14878949 g/mol
Monoisotopic Mass269.14878949 g/mol
Topological Polar Surface Area116 Ų
Heavy Atom Count19
Formal Charge0
Complexity310
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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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