CAS 81461-73-6

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Also known as: 81461-73-6, 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane bromide, F8t68t53gb, 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane bromide, 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, bromide (1:1), Refchem:1074651

Molecular Formula

C₁₂H₁₉BrN₄

Molecular Weight

299.21 g/mol

InChI Key

OYIPPQBBPVTVTR-UHFFFAOYSA-M

FDA UNII

F8T68T53GB

1 2D Structure

CAS 81461-73-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane bromide

2.1.2 InChI

InChI=1S/C12H19N4.BrH/c1-2-9-16(8-1)10-6-15(7-11-16)12-13-4-3-5-14-12;/h3-5H,1-2,6-11H2;1H/q+1;/p-1

2.1.3 InChI Key

OYIPPQBBPVTVTR-UHFFFAOYSA-M

2.2 Other Identifiers

2.2.1 UNII

F8T68T53GB

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 81461-73-6

2. 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide

3. F8t68t53gb

4. 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane Bromide

5. 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide (1:1)

6. Refchem:1074651

7. 924-923-1

8. Buspirone Ep Impurity B

9. 8-(pyrimidin-2-yl)-5,8-diazaspiro[4.5]decan-5-ium Bromide

10. 8-pyrimidin-2-yl-8-aza-5-azoniaspiro[4.5]decane;bromide

11. 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4,5]decane Bromide

12. 8-(pyrimidin-2-yl)-8-aza-5-azoniaspiro[4.5]decane Bromide

13. 8-pyrimidin-2-yl-5,8-diazaspiro[4.5]decane, Bromide

14. F1727-0279

15. Oyippqbbpvtvtr-uhfffaoysa-m

16. 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide (1:1); 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide (9ci); 8-(2-pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane Bromide

17. Smr000034101

18. Starbld0001642

19. Mls000078296

20. Schembl9007246

21. Chembl1464282

22. Regid_for_cid_657505

23. Hms2330a13

24. Gda46173

25. Mfcd00524901

26. Sbb081505

27. Akos000276296

28. Ds-015769

29. Cs-0271378

30. St50109097

31. Vu0215920-5

32. H42616

33. Sr-01000395974

34. Sr-01000395974-1

35. Z57912359

36. 8-(pyrimidin-2-yl)-5,8-diazaspiro[4.5]decan-5-ylium Bromide

37. 8-aza-5-azoniaspiro[4.5]decane, 8-(2-pyrimidinyl)-, Bromide

38. 8-(pyrimidin-2-yl)-5lambda,8-diazaspiro[4.5]decan-5-ylium Bromide

2.4 Create Date

2005-06-29

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₉BrN₄
Molecular Weight	299.21 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	29
Heavy Atom Count	17
Formal Charge	0
Complexity	221
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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