79752-03-7

Chemistry, 1 End Use API, 4 Related Intermediates

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Also known as: 79752-03-7, 1-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone, 5-acetyl-10,11-dihydro-3-nitro-5h-dibenz[b,f]azepine, 5-acetyl-10,11-dihydro-3-nitro-5h-dibenz(b,f)azepine, 1-{5-nitro-2-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}ethan-1-one, Einecs 279-251-5

Molecular Formula

C₁₆H₁₄N₂O₃

Molecular Weight

282.29 g/mol

InChI Key

LZEJPLZDYOQHSM-UHFFFAOYSA-N

1 2D Structure

79752-03-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

2.1.2 InChI

InChI=1S/C16H14N2O3/c1-11(19)17-15-5-3-2-4-12(15)6-7-13-8-9-14(18(20)21)10-16(13)17/h2-5,8-10H,6-7H2,1H3

2.1.3 InChI Key

LZEJPLZDYOQHSM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 79752-03-7

2. 1-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

3. 5-acetyl-10,11-dihydro-3-nitro-5h-dibenz[b,f]azepine

4. 5-acetyl-10,11-dihydro-3-nitro-5h-dibenz(b,f)azepine

5. 1-{5-nitro-2-azatricyclo[9.4.0.0(3),?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}ethan-1-one

6. Einecs 279-251-5

7. Ethanone,1-(10,11-dihydro-3-nitro-5h-dibenz[b,f]azepin-5-yl)-

8. Chemdiv1_020026

9. Cambridge Id 5478742

10. Oprea1_009387

11. Oprea1_701382

12. Mls001209440

13. Chembl1322020

14. Schembl19224977

15. Hms643o06

16. 1-(3-nitro-10,11-dihydro-dibenzo[b,f]azepin-5-yl)-ethanone

17. Dtxsid101000705

18. Hms2829i05

19. Stl307803

20. Akos000547580

21. As-71194

22. Smr000516297

23. Ft-0645034

24. W12146

25. Ab00086548-01

26. A839749

27. Sr-01000403935

28. 4-(3-chlorophenyl)-2-(pyridin-3-yl)butanenitrile

29. J-650396

30. Sr-01000403935-1

31. W-111543

32. 1-(3-nitro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)ethan-1-one

33. 1-(3-nitro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)-1-ethanone

2.3 Create Date

2005-07-15

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄N₂O₃
Molecular Weight	282.29 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66.1
Heavy Atom Count	21
Formal Charge	0
Complexity	420
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	1

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CAS Number

79752-03-7

Intermediate Name

3-Nitro-5-Acetyl Iminodibenzyl

About the Company

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...

Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.

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