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    CAS 249561-98-6

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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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                                          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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                                          SANIKA CHEMICALS PVT. LTD

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                                            Methyl 6-Methyl Nicotinate

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                                            5470-70-2
                                            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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                                            SANIKA CHEMICALS PVT. LTD

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                                              1-(6-Methyl pyridin-3-yI)-2-[4-(methyl Sulfonyl) phenyl...

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                                              221615-75-4
                                              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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                                              SANIKA CHEMICALS PVT. LTD

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                                                4-Methyl Thio Benzyl Cyanide

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                                                18991-39-4
                                                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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                                                Shenzhen HwaGen Pharmaceutical

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                                                  1-(6-Methylpyridin-3-yl)-2-[4-(methylthio)phenyl]ethano...

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                                                  221615-72-1
                                                  Etoricoxib
                                                  Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
                                                  Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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                                                    4-methylsulphonylphenylacetic acid

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                                                    90536-66-6
                                                    Etoricoxib
                                                    Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
                                                    Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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                                                    veranova-m-2024-04-22

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                                                    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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