Kores India Limited

CAS 55242-64-3

Chemistry, 2 End Use API, 1 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

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Also known as: 55242-64-3, 3-methyl-7-propylpurine-2,6-dione, 3-methyl-7-propyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione, 3-methyl-7-propyl-3,7-dihydro-1h-purine-2,6-dione, Chemdiv2_008535, 3-methyl-7-propyl-2,6-dihydroxypurine

Molecular Formula

C₉H₁₂N₄O₂

Molecular Weight

208.22 g/mol

InChI Key

MHNVSFOURBQRPK-UHFFFAOYSA-N

1 2D Structure

CAS 55242-64-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-methyl-7-propylpurine-2,6-dione

2.1.2 InChI

InChI=1S/C9H12N4O2/c1-3-4-13-5-10-7-6(13)8(14)11-9(15)12(7)2/h5H,3-4H2,1-2H3,(H,11,14,15)

2.1.3 InChI Key

MHNVSFOURBQRPK-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCN1C=NC2=C1C(=O)NC(=O)N2C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 55242-64-3

2. 3-methyl-7-propylpurine-2,6-dione

3. 3-methyl-7-propyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione

4. 3-methyl-7-propyl-3,7-dihydro-1h-purine-2,6-dione

5. Chemdiv2_008535

6. 3-methyl-7-propyl-2,6-dihydroxypurine

7. 3-methyl-7-propyl-xanthine

8. Oprea1_099760

9. 3-methyl-7-pro-pyl-xanthine

10. Schembl1495090

11. Mhnvsfourbqrpk-uhfffaoysa-

12. Dtxsid50391374

13. Hms1393l01

14. Zinc224909

15. Mfcd02089337

16. Akos002138709

17. Cs-w015217

18. Ac-18330

19. As-58459

20. Db-052701

21. Ft-0640296

22. M1756

23. En300-55770

24. 242m643

25. 3-methyl-7-propyl-1h-purine-2,6(3h,7h)-dione

26. Sr-01000597021

27. Hydrazine, (2-ethylphenyl)-, Hydrochloride (1:1)

28. Sr-01000597021-1

29. Z857666930

2.3 Create Date

2005-09-07

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂N₄O₂
Molecular Weight	208.22 g/mol
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	208.09602564 g/mol
Monoisotopic Mass	208.09602564 g/mol
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	294
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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CAS Number

55242-64-3

Intermediate Name

3-Methyl-7-n-propylxanthine

About the Company

The division was established in 1981 as a Specialty Chemicals Division with a focus to manufacture specia...

The division was established in 1981 as a Specialty Chemicals Division with a focus to manufacture specialty chemicals and pharmaceutical intermediates. In April 2006, the division has been renamed as ‘Pharmaceuticals & Chemicals Division’ to focus strongly on the manufacturing of active pharmaceutical ingredients and pharmaceutical intermediates. Located at Roha, the manufacturing site is about 140 km from the city of Mumbai and occupies an area of 40,000 sq.m. The division employs over 200 people and has the capacity to develop and execute a range of chemical processes. It also provides for innovative process design and scale-up.

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