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2D Structure
Also known as: Sedapain (tn), Eptazocine hbr, Eptazocine hydrobromide [jan], L-st-2121, St-2121, Unii-865626y4on
Molecular Formula
C15H22BrNO
Molecular Weight
312.24  g/mol
InChI Key
KMISFPIWSMSMJD-GPKQSYPGSA-N
FDA UNII
865626Y4ON

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,9S)-1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide
2.1.2 InChI
InChI=1S/C15H21NO.BrH/c1-15-5-6-16(2)10-11(9-15)7-12-3-4-13(17)8-14(12)15;/h3-4,8,11,17H,5-7,9-10H2,1-2H3;1H/t11-,15-;/m1./s1
2.1.3 InChI Key
KMISFPIWSMSMJD-GPKQSYPGSA-N
2.2 Other Identifiers
2.2.1 UNII
865626Y4ON
2.3 Synonyms
2.3.1 MeSH Synonyms

1. L-1,4-dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1h-4-benzazonine Hydrobromide

2. L-st-2121

3. St 2121

4. St-2121

2.3.2 Depositor-Supplied Synonyms

1. Sedapain (tn)

2. Eptazocine Hbr

3. Eptazocine Hydrobromide [jan]

4. L-st-2121

5. St-2121

6. Unii-865626y4on

7. St 2121, L-

8. Mcv 4169

9. 865626y4on

10. Eptazocine Hydrobromide (jan)

11. Mcv-4169

12. Sedapain

13. Eptazocine Hydrobromide [mart.]

14. Eptazocine Hydrobromide [who-dd]

15. (-)-nih-9614

16. (-)-st-2121

17. (-)-1,4-dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1h-4-benzazonine Hydrobromide

18. (-)-2,3,4,5,6,7-hexahydro-1,4-dimethyl-1,6-methano-1h-4-benzazonin-10-ol Hydrobromide

19. L-1,4-dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1h-4-benzazonine Hydrobromide

20. Eptazocine Hydrobromide (mart.)

21. (-)-(1s,6s)-2,3,4,5,6,7-hexahydro-1,4-dimethyl-1,6-methano-1h-4-benzazonin-10-ol Hbr

22. (-)-(1s,6s)-2,3,4,5,6,7-hexahydro-1,4-dimethyl-1,6-methano-1h-4-benzazonin-10-ol Hydrobromide

23. 1,6-methano-1h-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1,4-dimethyl-, Hbr (1:1), (1s,6s)-

24. 1,6-methano-1h-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1,4-dimethyl-, Hydrobromide (1:1), (1s,6s)-

25. 1,6-methano-1h-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1,4-dimethyl-, Hydrobromide, (-)-

26. (-)-nih 9614

27. 1,6-methano-1h-4-benzazonin-10-ol, 2,3,4,5,6,7-hexahydro-1,4-dimethyl-, Hydrobromide, (1s)-

28. 72150-17-5

29. (1s,9s)-1,11-dimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol;hydrobromide

30. 1,4-dimethyl-10-hydroxy-2,3,4,5,6,7-hexahydro-1,6-methano-1h-4-benzazonine Hydrobromide

31. Sedapain (hydrobromide)

32. 1,6-methano-1h-4-benzazonin-10-ol,2,3,4,5,6,7-hexahydro-1,4-dimethyl-, Hydrobromide, (1s,6s)-

33. Eptazocine (hydrobromide)

34. Schembl395495

35. Chebi:31553

36. D01879

37. Q27269706

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 312.24 g/mol
Molecular Formula C15H22BrNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area23.5
Heavy Atom Count18
Formal Charge0
Complexity293
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2