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Chemistry

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Also known as: 103300-74-9, Taltirelin acetate, Ceredist, Ta 0910, Ta-0910, Taltirelin [inn]

Molecular Formula

C₁₇H₂₃N₇O₅

Molecular Weight

405.4 g/mol

InChI Key

LQZAIAZUDWIVPM-SRVKXCTJSA-N

FDA UNII

DOZ62MV6A5

1 2D Structure

Taltirelin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(4S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

2.1.2 InChI

InChI=1S/C17H23N7O5/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29)/t10-,11-,12-/m0/s1

2.1.3 InChI Key

LQZAIAZUDWIVPM-SRVKXCTJSA-N

2.1.4 Canonical SMILES

CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N

2.1.5 Isomeric SMILES

CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N

2.2 Other Identifiers

2.2.1 UNII

DOZ62MV6A5

2.3 Synonyms

2.3.1 MeSH Synonyms

1. (1-methyl-4,5-dihydroorotyl)-histidyl-prolinamide

2. Ta 0910

3. Ta-0910

4. Taltirelin Hydrate

2.3.2 Depositor-Supplied Synonyms

1. 103300-74-9

2. Taltirelin Acetate

3. Ceredist

4. Ta 0910

5. Ta-0910

6. Taltirelin [inn]

7. Doz62mv6a5

8. (s)-n-((s)-1-((s)-2-carbamoylpyrrolidin-1-yl)-3-(1h-imidazol-4-yl)-1-oxopropan-2-yl)-1-methyl-2,6-dioxohexahydropyrimidine-4-carboxamide

9. Ncgc00181033-01

10. (4s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(3h-imidazol-4-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

11. (4s)-n-[(2s)-1-[(2s)-2-carbamoylpyrrolidin-1-yl]-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl]-1-methyl-2,6-dioxo-1,3-diazinane-4-carboxamide

12. Unii-doz62mv6a5

13. Taltirelina

14. Taltireline

15. Taltirelinum

16. Ccris 8513

17. Taltirelin [mi]

18. Ta-0910, Taltirelin

19. Taltirelin [mart.]

20. (-)-n-(((s)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-l-prolinamide

21. Dsstox_cid_23763

22. Dsstox_rid_80071

23. Taltirelin [who-dd]

24. Dsstox_gsid_43763

25. (1-methyl-4,5-dihydroorotyl)-histidyl-prolinamide

26. Schembl194528

27. Gtpl2143

28. Chembl2107016

29. Dtxsid0043763

30. Schembl21219549

31. Schembl22077031

32. Chebi:135653

33. Bcpp000053

34. Amy22588

35. Bcp02001

36. Hy-b0596

37. Zinc4217500

38. Tox21_112682

39. Akos015920135

40. Akos015969113

41. L-prolinamide, N-(((4s)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-

42. L-prolinamide, N-((hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl)carbonyl)-l-histidyl-, (s)-

43. N-[[(4s)-hexahydro-1-methyl-2,6-dioxo-4-pyrimidinyl]carbonyl]-l-histidyl-l-prolinamide

44. Ncgc00381723-02

45. Ac-23956

46. Cas-103300-74-9

47. 300t749

48. J-000925

49. Q7680336

50. (1-methyl-(s)-4,5-dihydroorotyl)-l-histidyl-l-prolinamide

51. 1-methyl-(s)-4,5-dihydroorotyl-l-histidyl-l-prolinamide

52. Methyl5-(propan-2-yl)-1,2-oxazole-3-carboxylate

53. N-{[(4s)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-l-histidyl-l-prolinamide

54. (s)-n-((s)-1-((s)-2-carbamoylpyrrolidin-1-yl)-3-(1h-imidazol-5-yl)-1-oxopropan-2-yl)-1-methyl-2,6-dioxohexahydropyrimidine-4-carboxamide

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₃N₇O₅
Molecular Weight	405.4 g/mol
XLogP3	-3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	405.17606686 g/mol
Monoisotopic Mass	405.17606686 g/mol
Topological Polar Surface Area	171 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	714
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Nootropic Agents

Drugs used to specifically facilitate learning or memory, particularly to prevent the cognitive deficits associated with dementias. These drugs act by a variety of mechanisms. (See all compounds classified as Nootropic Agents.)

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