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Also known as: 23256-42-0, Trimethoprim lactate salt, Trimethoprim lactic acid, 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoate, Mls000069832, Trimethoprim (lactate)

Molecular Formula

C₁₇H₂₄N₄O₆

Molecular Weight

380.4 g/mol

InChI Key

IIZVTUWSIKTFKO-UHFFFAOYSA-N

FDA UNII

P3K8GP9FDQ

1 2D Structure

Trimethoprim Lactate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxypropanoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

2.1.2 InChI

InChI=1S/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)

2.1.3 InChI Key

IIZVTUWSIKTFKO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C(=O)O)O.COC1=CC(=CC(=C1OC)OC)CC2=CN=C(N=C2N)N

2.2 Other Identifiers

2.2.1 UNII

P3K8GP9FDQ

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 23256-42-0

2. Trimethoprim Lactate Salt

3. Trimethoprim Lactic Acid

4. 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine 2-hydroxypropanoate

5. Mls000069832

6. Trimethoprim (lactate)

7. P3k8gp9fdq

8. 2-hydroxypropanoic Acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

9. Smr000058914

10. Propanoic Acid, 2-hydroxy-, Compd. With 5-[(3,4,5-trimethoxyphenyl)methyl]-2,4-pyrimidinediamine (1:1)

11. Unii-p3k8gp9fdq

12. 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine Lactate Salt

13. Wellcoprim (tn)

14. Propanoic Acid, 2-hydroxy-, Compd. With 5-((3,4,5-trimethoxyphenyl)methyl)-2,4-pyrimidinediamine (1:1)

15. Einecs 245-533-1

16. Mfcd00171722

17. Lactotrim

18. Opera_id_705

19. Mls001148451

20. Schembl950634

21. Chembl1430611

22. Hy-b0510c

23. Dtxsid00945947

24. Trimethoprim Lactate Salt, >=98%

25. Bcp13301

26. Trimethoprim Lactate [who-dd]

27. Akos015900431

28. Sb57946

29. 2-hydroxypropanoic Acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

30. Lactic Acid, Compound With 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)

31. Ac-13574

32. Db-046114

33. Cs-0129445

34. Ft-0630496

35. Vu0212227-7

36. D08644

37. H10372

38. 256t420

39. A816646

40. J-015057

41. J-516148

42. Q27286085

43. 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine Lactate

44. 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine2-hydroxypropanoate

45. 2-oxidanylpropanoic Acid; 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine

46. Lactic Acid, Compd. With 2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine (1:1)

47. 2,4-pyrimidinediamine, 5-((3,4,5-trimethoxyphenyl)methyl)-, Mono(2-hydroxypropanoate)

48. 2-hydroxypropanoic Acid--5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4(1h,3h)-diimine (1/1)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₄N₄O₆
Molecular Weight	380.4 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	380.16958450 g/mol
Monoisotopic Mass	380.16958450 g/mol
Topological Polar Surface Area	163 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	366
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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