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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

Eptazocine Hydrobromide

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 Formula	C₁₅H₂₂BrNO
Molecular Weight	312.24 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	23.5
Heavy Atom Count	18
Formal Charge	0
Complexity	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2