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2D Structure
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

2D Structure

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 Weight 1257.7 g/mol
Molecular Formula C44H65Br5N12O2S2
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count12
Rotatable Bond Count8
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area164
Heavy Atom Count65
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count7