CAS 25961-11-9

Chemistry, 2 End Use API, 3 Related Intermediates

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Also known as: 25961-11-9, 3-chloro-5-acetyliminodibenzyl, 1-(3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)ethanone, 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone, 5-acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine, 5-acetyl-3-chloroiminodibenzyl

Molecular Formula

C₁₆H₁₄ClNO

Molecular Weight

271.74 g/mol

InChI Key

NMZOSOMVILZBJL-UHFFFAOYSA-N

FDA UNII

50MZ2KM0ZX

1 2D Structure

CAS 25961-11-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C16H14ClNO/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7H2,1H3

2.1.3 InChI Key

NMZOSOMVILZBJL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl

2.2 Other Identifiers

2.2.1 UNII

50MZ2KM0ZX

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 25961-11-9

2. 3-chloro-5-acetyliminodibenzyl

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

4. 1-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

5. 5-acetyl-3-chloro-10,11-dihydrodibenzo[b,f]azepine

6. 5-acetyl-3-chloroiminodibenzyl

7. 5-acetyl-3-chloro-10,11-dihydro-5h-dibenz(b,f)azepine

8. 50mz2km0zx

9. Mfcd01632170

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

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

12. Einecs 247-371-7

13. 1-(3-chloro-10,11-dihydro-5h-dibenzo(b,f)azepin-5-yl)ethanone

14. Ethanone, 1-(3-chloro-10,11-dihydro-5h-dibenz(b,f)azepin-5-yl)-

15. Carbamazepine Impurity 1

16. Unii-50mz2km0zx

17. Chembl3580710

18. 3-chloro-5-acetyl-iminodibenzyl

19. Dtxsid30180627

20. Bcp34514

21. Zinc5160120

22. Akos015900349

23. Ac-3538

24. Cs-w012364

25. 5-acetyl-3-chloro-2,2'-iminodibenzyl

26. As-15171

27. Sy037118

28. Ft-0645035

29. H11317

30. 961a119

31. A818109

32. J-650003

33. J-650389

34. 1-(3-chloro-10,11-dihydrodibenzo[b,f]azepin-5-yl)ethanone

35. 3-chloro-5-acetyl-10,11-dihydro-dibenzo[b,f] Azepine

36. 1-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone

37. 1-{14-chloro-2-azatricyclo[9.4.0.03]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}ethan-1-one

38. 3-chloro-5-acetyliminodibenzyl;1-(3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepin-5-yl)ethanone

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₄ClNO
Molecular Weight	271.74 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	271.0763918 g/mol
Monoisotopic Mass	271.0763918 g/mol
Topological Polar Surface Area	20.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	346
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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Clomipramine Hydrochloride

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CAS Number

25961-11-9

Intermediate Name

5-Acetyl-3-chloroiminodibenzyl

About the Company

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.

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CAS Number

25961-11-9

Intermediate Name

5-Acetyl-3-chloro-10,11-dihydro-5H-...

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LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients an...

LUNA Chemicals Co.,Ltd. markets and manufactures world-class quality Active Pharmaceutical Ingredients and intermediate chemicals for generic pharmaceutical companies. Our Development Team focus strategically on the core therapeutic areas: cardiovascular, anti-depressant, allergic, healthcare and plant extraction. We provide technical support and efficient regulatory documentation for manufacturers, intellectual property(IP) was always carefully considered as well. We also provide excellent outsourcing services to customers and laboratory support.

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