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ACTIVE PHARMA INGREDIENTS

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Also known as: Paramidine, 841-73-6, Paramidin, Bucolom, 5-butyl-1-cyclohexylbarbituric acid, Bucolomum

Molecular Formula

C₁₄H₂₂N₂O₃

Molecular Weight

266.34 g/mol

InChI Key

DVEQCIBLXRSYPH-UHFFFAOYSA-N

FDA UNII

9T08RAL174

1 2D Structure

Bucolome

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

2.1.2 InChI

InChI=1S/C14H22N2O3/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h10-11H,2-9H2,1H3,(H,15,17,19)

2.1.3 InChI Key

DVEQCIBLXRSYPH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC1C(=O)NC(=O)N(C1=O)C2CCCCC2

2.2 Other Identifiers

2.2.1 UNII

9T08RAL174

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-cyclohexyl-5-butylbarbituric Acid

2. Paramidine

2.3.2 Depositor-Supplied Synonyms

1. Paramidine

2. 841-73-6

3. Paramidin

4. Bucolom

5. 5-butyl-1-cyclohexylbarbituric Acid

6. Bucolomum

7. 5-butyl-1-cyclohexyl-2,4,6(1h,3h,5h)-pyrimidinetrione

8. Paramidin; Paramidine

9. 5-butyl-1-cyclohexyl-1,3-diazinane-2,4,6-trione

10. Barbituric Acid, 5-butyl-1-cyclohexyl-

11. 2,4,6(1h,3h,5h)-pyrimidinetrione, 5-butyl-1-cyclohexyl-

12. Chebi:31314

13. 9t08ral174

14. Ncgc00181911-01

15. 5-butyl-1-cyclohexylpyrimidine-2,4,6(1h,3h,5h)-trione

16. Bucolome [inn:jan]

17. Bucolomo

18. Bucolomum [inn-latin]

19. Bucolomo [inn-spanish]

20. Einecs 212-666-1

21. Brn 0755320

22. Unii-9t08ral174

23. Paramidin (tn)

24. 5-n-butyl-1-cyclohexyl-2,4,6-trioxoperhydropyrimidine

25. Bucolome (jan/inn)

26. Bucolome [inn]

27. Bucolome [jan]

28. Bucolome [mi]

29. Bucolome [mart.]

30. Bucolome [who-dd]

31. Dsstox_cid_28780

32. Dsstox_rid_83049

33. Dsstox_gsid_48854

34. Schembl25956

35. Chembl2106136

36. Dtxsid4048854

37. Tox21_113339

38. Hy-u00048

39. Cs-6752

40. Cas-841-73-6

41. 5-n-butyl-1-cyclohexylbarbituric Acid

42. D01661

43. Q4983624

2.4 Create Date

2005-03-25

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₂N₂O₃
Molecular Weight	266.34 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	266.16304257 g/mol
Monoisotopic Mass	266.16304257 g/mol
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	375
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	1