Octanex Labs | 4CH-018368 | Related Intermediates | Manufacturers & Suppliers

4CH-018368

Chemistry, 5 End Use API, 91 Related Intermediates

Manufacturers/Suppliers

6 Suppliers

6 Suppliers

Also known as: 865758-96-9, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]benzonitrile, 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile, Alogliptin impurity 09, 2-((6-chloro-3,4-dihydro-3-methyl-2,4-dioxopyrimidin-1(2h)-yl)methyl)benzonitrile, 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h) -yl)methyl)benzonitrile

Molecular Formula

C₁₃H₁₀ClN₃O₂

Molecular Weight

275.69 g/mol

InChI Key

BVUJISIVAHYNLI-UHFFFAOYSA-N

1 2D Structure

4CH-018368

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

2.1.2 InChI

InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3

2.1.3 InChI Key

BVUJISIVAHYNLI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 865758-96-9

2. 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]benzonitrile

3. 2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

4. Alogliptin Impurity 09

5. 2-((6-chloro-3,4-dihydro-3-methyl-2,4-dioxopyrimidin-1(2h)-yl)methyl)benzonitrile

6. 2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h) -yl)methyl)benzonitrile

7. 2-((6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl)benzonitrile

8. Schembl389683

9. Alogliptin Related Compound 28

10. Dtxsid10463107

11. Bcp08889

12. Cs-m2296

13. Mfcd11558902

14. Zinc40433892

15. Akos015999478

16. Ab64299

17. Benzonitrile,2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-

18. Ac-25788

19. As-19917

20. Db-076686

21. Am20090701

22. Ft-0664651

23. F20414

24. A852271

25. 2-(6-chloro-3-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-ylmethyl)-benzonitrile

26. 2-[6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidine-1(2h)-ylmethyl]benzonitrile

27. Benzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2h)-pyrimidinyl)methyl]-

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₁₀ClN₃O₂
Molecular Weight	275.69 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	275.0461543 g/mol
Monoisotopic Mass	275.0461543 g/mol
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	480
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

93703-24-3

End Use API

Linagliptin

About the Company

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...

OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners

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