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Also known as: 906093-29-6, Teneligliptin hydrobromide, Unii-556rzt8jpf, 556rzt8jpf, Dtxsid90238219, Methanone, ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-1-piperazinyl)-2-pyrrolidinyl)-3-thiazolidinyl-, hydrobromide (2:5)

Molecular Formula

C₄₄H₆₅Br₅N₁₂O₂S₂

Molecular Weight

1257.7 g/mol

InChI Key

LUXIOMHUGCXFIU-MAYGPZJUSA-N

FDA UNII

556RZT8JPF

1 2D Structure

556RZT8JPF

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2S,4S)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;pentahydrobromide

2.1.2 InChI

InChI=1S/2C22H30N6OS.5BrH/c2*1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27;;;;;/h2*2-6,13,19-20,23H,7-12,14-16H2,1H3;5*1H/t2*19-,20-;;;;;/m00...../s1

2.1.3 InChI Key

LUXIOMHUGCXFIU-MAYGPZJUSA-N

2.2 Other Identifiers

2.2.1 UNII

556RZT8JPF

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 906093-29-6

2. Teneligliptin Hydrobromide

3. Unii-556rzt8jpf

4. 556rzt8jpf

5. Dtxsid90238219

6. Methanone, ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-1-piperazinyl)-2-pyrrolidinyl)-3-thiazolidinyl-, Hydrobromide (2:5)

7. Teneligliptin Hydrobromide [jan]

8. Teneligliptin Hydrobromide [who-dd]

9. 906093-29-6 (hbr)

10. Mp-513 (hydrobromide)

11. Teneligliptin Hydrobromide (jan)

12. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone; Hydrobromide (2:5)

13. Bis(((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(thiazolidin-3-yl)methanone) Pentahydrobromide

14. ((2s,4s)-4-(4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl)pyrrolidin-2-yl)(1,3-thiazolidin-3-yl)methanone Hemipentahydrobromide

15. {(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone Hemipentahydrobromide

16. Mfcd23098790

17. Teneligliptin Hydrobromide?

18. C44h65br5n12o2s2

19. Dtxcid60160710

20. Akos040759056

21. Ac-31738

22. D11968

23. F18817

24. Q27261290

25. [(2s,4s)-4-[4-(5-methyl-2-phenylpyrazol-3-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone;pentahydrobromide

26. 3-[[(2s,4s)-4-[4-(3-methyl-1-phenyl-1h-pyrazol-5-yl)-1-piperazinyl]-2-pyrrolidinyl]carbonyl]-thiazolidine Hydrobromide (2:5)

2.4 Create Date

2007-02-05

3 Chemical and Physical Properties

Molecular Formula	C₄₄H₆₅Br₅N₁₂O₂S₂
Molecular Weight	1257.7 g/mol
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	164
Heavy Atom Count	65
Formal Charge	0
Complexity	594
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	7

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