Mehta Api

Also known as: 666816-98-4, 8-bromo-7-(but-2-ynyl)-3-methyl-1h-purine-2,6(3h,7h)-dione, 3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine, 1h-purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1h-purine-2,6-dione, C10h9brn4o2

Molecular Formula

C₁₀H₉BrN₄O₂

Molecular Weight

297.11 g/mol

InChI Key

HFZOBQSHTNNKFY-UHFFFAOYSA-N

1 2D Structure

4CH-021851

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione

2.1.2 InChI

InChI=1S/C10H9BrN4O2/c1-3-4-5-15-6-7(12-9(15)11)14(2)10(17)13-8(6)16/h5H2,1-2H3,(H,13,16,17)

2.1.3 InChI Key

HFZOBQSHTNNKFY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC#CCN1C2=C(N=C1Br)N(C(=O)NC2=O)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 666816-98-4

2. 8-bromo-7-(but-2-ynyl)-3-methyl-1h-purine-2,6(3h,7h)-dione

3. 3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine

4. 1h-purine-2,6-dione, 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-

5. 8-bromo-7-(2-butynyl)-3,7-dihydro-3-methyl-1h-purine-2,6-dione

6. C10h9brn4o2

7. 8-bromo-7-(2-butyn-1-yl)-3-methylxanthine

8. 8-bromo-7-but-2-ynyl-3-methylpurine-2,6-dione

9. 8-bromo-7-(but-2-ynyl)-3-methyl-3,7-dihydropurine-2,6-dione

10. 8-bromo-7-(but-2-yn-1-yl)-3-methyl-3,7-dihydro-1h-purine-2,6-dione

11. Ec 613-975-8

12. Schembl497538

13. Amy8821

14. Dtxsid40610667

15. Bcp11176

16. Cs-m2665

17. Mfcd22126091

18. Zinc83428815

19. Akos016007674

20. Ac-27059

21. As-19141

22. B4454

23. Ft-0698780

24. 3-methyl-7-(2-butin-1-yl)-8-bromoxanthine

25. 3-methyl-7-(2-butine-1-yl)-8-bromoxanthine

26. 3-methyl-7-(2-butyn-1-yl)-8-bromo-xanthine

27. 3-methyl-7-(2-butyn-l-yl)-8-bromo-xanthine

28. 8-bromo-7-but-2-ynyl-3-methyl-purine-2,6-dione

29. A1-00287

30. J-519399

31. 8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1h-purine-2,6-dione

32. 8-bromo-7-(but-2-ynyl)-3-methyl-1h-purine-2,6(3h,7h)-dione/3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₉BrN₄O₂
Molecular Weight	297.11 g/mol
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	295.99089 g/mol
Monoisotopic Mass	295.99089 g/mol
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	427
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	1

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About the Company

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globall...

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globally. Mehta Api has been inordinately proud of its achievements since its inception .Our journey is paved with many success stories. Much of it has, in many ways, been unprecedented in the Pharma industry. Our success has been validated by what we hold the dearest - Product Excellence and Customer service. We believe that long-term business success is rooted in value. Business ethics are good business; they are like a long-term insurance policy. We are committed to Excellence in Product Quality and adherence to stringent delivery schedule.

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End Use API

Linagliptin

About the Company

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globall...

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globally. Mehta Api has been inordinately proud of its achievements since its inception .Our journey is paved with many success stories. Much of it has, in many ways, been unprecedented in the Pharma industry. Our success has been validated by what we hold the dearest - Product Excellence and Customer service. We believe that long-term business success is rooted in value. Business ethics are good business; they are like a long-term insurance policy. We are committed to Excellence in Product Quality and adherence to stringent delivery schedule.

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