Setiptiline Maleate

Synopsis, Chemistry

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Also known as: 85650-57-3, Tecipul, Setiptiline (maleate), Mo-8282, 9voz30eo2y, Setiptiline maleate (jan)

Molecular Formula

C₂₃H₂₃NO₄

Molecular Weight

377.4 g/mol

InChI Key

AVPIBVPBCWBXIU-BTJKTKAUSA-N

FDA UNII

9VOZ30EO2Y

1 2D Structure

Setiptiline Maleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-but-2-enedioic acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene

2.1.2 InChI

InChI=1S/C19H19N.C4H4O4/c1-20-11-10-18-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)19(18)13-20;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

2.1.3 InChI Key

AVPIBVPBCWBXIU-BTJKTKAUSA-N

2.1.4 Canonical SMILES

CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CN1CCC2=C(C1)C3=CC=CC=C3CC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

9VOZ30EO2Y

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2,3,4-tetrahydro-2-methyl-9h-dibenzo(3,4-6,7)cyclohepta(1,2-c)pyridine

2. 13b,4a-carba-mianserin

3. Mo 8282

4. Mo-8282

5. Org 8282

6. Org-8282

7. Setiptiline

2.3.2 Depositor-Supplied Synonyms

1. 85650-57-3

2. Tecipul

3. Setiptiline (maleate)

4. Mo-8282

5. 9voz30eo2y

6. Setiptiline Maleate (jan)

7. Setiptiline Maleate [jan]

8. 2,3,4,9-tetrahydro-2-methyl-1h-dibenzo[3,4

9. 2,3,4,9-tetrahydro-2-methyl-1h-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridyl Maleate

10. 85650-57-3 (maleate); 57262-94-9 (free Base)

11. 2,3,4,9-tetrahydro-2-methyl-1h-dibenzo(3,4:6,7)cyclohepta(1,2-c)pyridine Maleate

12. 2,3,4,9-tetrahydro-2-methyl-1h-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridyl Maleate

13. Unii-9voz30eo2y

14. Mod-20

15. Setiptilinemaleate

16. Teciptiline Maleate

17. Einecs 288-065-3

18. Tecipul (tn)

19. Bisopool

20. Schembl623015

21. Setiptiline Maleate [mi]

22. Chebi:176786

23. Hy-32329a

24. Setiptiline Maleate [who-dd]

25. Cs-0857

26. D02034

27. Q27273285

28. (z)-but-2-enedioic Acid;4-methyl-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),8,10,12,15,17-heptaene

29. 2-methyl-2,3,4,9-tetrahydro-1h-dibenzo[3,4:6,7]cyclohepta[1,2-c]pyridine (2z)-but-2-enedioate

2.4 Create Date

2005-10-11

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₂₃NO₄
Molecular Weight	377.4 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	377.16270821 g/mol
Monoisotopic Mass	377.16270821 g/mol
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	516
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2