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CAS 249561-98-6 manufacturers and suppliers on PharmaCompass

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CAS 249561-98-6
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 Weight 306.62 g/mol
Molecular Formula C7H14ClF6N2P
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass306.0487321 g/mol
Monoisotopic Mass306.0487321 g/mol
Topological Polar Surface Area6.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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Etoricoxib
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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Etoricoxib
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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Etoricoxib
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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Etoricoxib
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as ...
Sanika Chemicals Pvt. Ltd. is the fast growing company establishing a strong presence in the Domestic as well Global market as a reliable partner. We are very much concern with the Quality of our Product, Services, Employee as well the social belonging. Our main strength is our People, who are highly motivated and reflect a perfect blend of Zeal and Commitment. We are committed to satisfy the needs of the customer and Proactive with the solutions of extended needs of the Customer. We are in the serve of Nation over a Decade and renowned by receiving an Award of Udyog Patra in year 2005.
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