Sanpra Synthesis

CAS 249561-98-6

Chemistry, 9 End Use API, 27 Related Intermediates

Manufacturers/Suppliers

9 Suppliers

9 Suppliers

Also known as: 249561-98-6, 291756-76-8, N-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminium hexafluorophosphate(v), 2-chloro-1,3-bis(dimentylamino)trimethinium hexafluorophosphate, Etoricoxib related compound c, Vinamidinium hexaflurophophate

Molecular Formula

C₇H₁₄ClF₆N₂P

Molecular Weight

306.62 g/mol

InChI Key

PIUHAULDXSPPQV-UHFFFAOYSA-N

FDA UNII

X3ESZ1676P

1 2D Structure

CAS 249561-98-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(Z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate

2.1.2 InChI

InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1

2.1.3 InChI Key

PIUHAULDXSPPQV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN(C)C=C(C=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F

2.1.5 Isomeric SMILES

CN(C)/C=C(/C=[N+](C)C)\Cl.F[P-](F)(F)(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

X3ESZ1676P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 249561-98-6

2. 291756-76-8

3. N-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminium Hexafluorophosphate(v)

4. 2-chloro-1,3-bis(dimentylamino)trimethinium Hexafluorophosphate

5. Etoricoxib Related Compound C

6. Vinamidinium Hexaflurophophate

7. X3esz1676p

8. (z)-n-[2-chloro-3-(dimethylamino)allylidene]-n-methylmethanaminium Hexafluorophosphate

9. [(z)-2-chloro-3-(dimethylamino)prop-2-enylidene]-dimethylazanium;hexafluorophosphate

10. 2-propen-1-aminium, 2-chloro-3-(dimethylamino)-n,n-dimethyl-, (2z)-, Hexafluorophosphate(1-) (1:1)

11. N-[2-chloro-3-(dimethylamino)-2-propen-1-ylidene]-n-methylmethanaminium Hexafluorophosphate

12. N-[2-chloro-3-(dimethylamino)allylidene]-n-methylmethanaminium Hexafluorophosphate(v)

13. (z)-2-chloro-1,3-bis(dimethylamino)trimethinium Hexafluorophosphate

14. (z)-n-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminium Hexafluorophosphate(v)

15. 2-chloro-3-(dimethylamino)-n,n-dimethyl-2-propen-1-aminium Hexafluorophosphate(1-)

16. N-(2-chloro-3-(dimethylamino)-2-propenylidene)-n-methylmethanaminuium Hexafluorophosphate

17. N-(2-chloro-3-(dimethylamino)allylidene)-n-methylmethanaminiumhexafluorophosphate(v)

18. Methanaminium, N-((2z)-2-chloro-3-(dimethylamino)-2-propenylidene)-n-methyl-, Hexafluorophosphate(1-)

19. Methanaminium, N-(2-chloro-3-(dimethylamino)-2-propenylidene)-n-methyl-, Hexafluorophosphate(1-)

20. Mfcd08458255

21. Ec 619-785-1

22. Unii-x3esz1676p

23. Ac8643

24. Akos015852446

25. Am86804

26. Cs-w005317

27. (2z)-2-chloro-3-(dimethylamino)-n,n-dimethylprop-2-en-1-iminium Hexafluorophosphate

28. Etoricoxib Related Compound C [usp-rs]

29. As-18920

30. F15706

31. A876515

32. A904645

33. J-508592

34. Q27293510

35. 2-chloro-1,3-bis(dimethylamino)trimethinium Hexaflurophosphate

36. 2-chloro-1,3-bis(dimethylamino)trimethinium Hexafluorophosphate, Aldrichcpr

37. ((z)-2-chloro-3-dimethylamino-allylidene)-dimethyl-ammonium Hexafluoro Phosphate

38. 2-chloro-3-(dimethylamino)-n,n-dimethylprop-2-en-1-iminium Hexafluorophosphate

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₄ClF₆N₂P
Molecular Weight	306.62 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	306.0487321 g/mol
Monoisotopic Mass	306.0487321 g/mol
Topological Polar Surface Area	6.2 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	201
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

249561-98-6

End Use API

Etoricoxib

About the Company

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.

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