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Also known as: 109010-60-8, S-atba, Benazepril related compound f, (s)-t-butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1h-benzo[b]azepin-1-yl)acetate, Tert-butyl 2-[(3s)-3-amino-2-oxo-4,5-dihydro-3h-1-benzazepin-1-yl]acetate, 1,1-dimethylethyl ((3s)-3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl)acetate
Molecular Formula
C16H22N2O3
Molecular Weight
290.36  g/mol
InChI Key
QTEDVVHLTMELTB-LBPRGKRZSA-N
FDA UNII
5WJ869A7AY

CAS 109010-60-8
1 2D Structure

CAS 109010-60-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate
2.1.2 InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20/h4-7,12H,8-10,17H2,1-3H3/t12-/m0/s1
2.1.3 InChI Key
QTEDVVHLTMELTB-LBPRGKRZSA-N
2.1.4 Canonical SMILES
CC(C)(C)OC(=O)CN1C2=CC=CC=C2CCC(C1=O)N
2.1.5 Isomeric SMILES
CC(C)(C)OC(=O)CN1C2=CC=CC=C2CC[C@@H](C1=O)N
2.2 Other Identifiers
2.2.1 UNII
5WJ869A7AY
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 109010-60-8

2. S-atba

3. Benazepril Related Compound F

4. (s)-t-butyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1h-benzo[b]azepin-1-yl)acetate

5. Tert-butyl 2-[(3s)-3-amino-2-oxo-4,5-dihydro-3h-1-benzazepin-1-yl]acetate

6. 1,1-dimethylethyl ((3s)-3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl)acetate

7. 5wj869a7ay

8. Tert-butyl (s)-2-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl)acetate

9. 1,1-dimethylethyl [(3s)-3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl]acetate

10. Tert-butyl 2-[(3s)-3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl]acetate

11. 1h-1-benzazepine-1-acetic Acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl Ester, (3s)-

12. Unii-5wj869a7ay

13. Mfcd03426719

14. Tert-butyl-(s)-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl) Acetate

15. Tert-butyl-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-(3s)-benzazepine-1-acetate

16. Benazepril Ep Impurity F

17. Ec 700-294-7

18. (s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-1-benazepine-1-acetic Acid 1,1-dimethyl Ethyl Ester

19. An-668/40768843

20. Schembl5698825

21. Dtxsid80148797

22. (7s-amino-6-oxo-6,7,8,9-tetrahydro-5h-benzocyclohepten-5-yl)-acetic Acid Tert-butyl Ester

23. Act01801

24. Bcp13482

25. Cs-d0726

26. Ac-767

27. Zinc53112900

28. Akos015854177

29. Akos015888693

30. Ds-1653

31. Benazepril Related Compound F [usp-rs]

32. 010a608

33. A801954

34. Benazepril Related Compound F [usp Impurity]

35. J-502511

36. Q27262960

37. Benazepril Hydrochloride Impurity F [ep Impurity]

38. Tbu-(s)-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl) Acetate

39. (3s)-2,3,4,5-tetrahydro-2-oxo-3-amino-1h-1-benzazepine-1-acetic Acid Tert-butyl Ester

40. (3s)-3-amino-1-t-butoxycarbonylmethyl-2,3,4,5-tetrahydro-1h-benzazepin-2-one

41. (s)-1,1-dimethylethyl 3-amino-2-oxo-2,3,4,5-tetrahydro-1h-benz(b)azepin-1-acetate

42. (s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine-1-acetic Acid T-butyl Ester

43. (s)-neopentyl 2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1h-benzo[b]azepin-1-yl)acetate

44. (s)-tert-butyl2-(3-amino-2-oxo-2,3,4,5-tetrahydro-1h-benzo[b]azepin-1-yl)acetate

45. 2-methyl-2-propanyl [(3s)-3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl]acetate

46. T-butyl 3-(s)-amino-2,3,4,5-tetrahydro-1h-[1]benzepine-2-one-1-acetate

47. Tert-butyl (3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl)acetate

48. Tert-butyl (3s)-3-amino-2,3,4,5-tetrahydro-1h-(1)-benzazepin-2-one-1-acetate

49. Tert-butyl (3s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-1-benzazepine-1-acetate

50. Tert-butyl (3s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-benzazepine-1-acetate

51. Tert-butyl-(s)-(3-amino-2-oxo-2,3,4,5-tetrahydro Benzo[b]azepin-1-yl)acetate

52. Tertbutyl (3s)-3-amino-2,3,4,5-tetrahydro-1h-(1)-benzazepin-2-one-1-acetate

53. (s)-1-((tert-butyloxycarbonyl)methyl)-3-amino-2,3,4,5-tetrahydro-1h-(1)benzazepin-2-one

54. 1h-1-benzazepine-1-acetic Acid, 3-amino-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl Ester, (s)-

55. Benazepril Usp Related Compound F ; 1,1-dimethylethyl [(3s)-3-amino-2-oxo-2,3,4,5-tetrahydro-1h-1-benzazepin-1-yl]acetate; Tert-butyl-(s)-(3-amino-2-oxo-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl) Acetate

56. S-atba Pound>>(s)-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-1-benazepine-1-acetic Acid 1,1-dimethyl Ethyl Ester; Tert-butyl-3-amino-2,3,4,5-tetrahydro-2-oxo-1h-(3s)-benzazepine-1-ace

2.4 Create Date
2005-07-12
3 Chemical and Physical Properties
Molecular Weight 290.36 g/mol
Molecular Formula C16H22N2O3
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass290.16304257 g/mol
Monoisotopic Mass290.16304257 g/mol
Topological Polar Surface Area72.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothAarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

(S)-3-Amine-2,3,4,5-tetrahydro-2-oxo-1H- benzazepi...

CAS Number : 109010-60-8

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About the Company : Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic...

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Vio Chemicals

Switzerland
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Tert-butyl-(S)-(3-amino-2-oxo-2,3,4,5-tetrahydro-b...

CAS Number : 109010-60-8

End Use API :

About the Company : A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technolo...

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(3s)-3-amino-1-t-butoxycarbonylmethyl-2,3,4,5-tetr...

CAS Number : 109010-60-8

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About the Company : Zhejiang Huahai Pharmaceuticals Co., Ltd.was initially founded in 1989, and the company's stock was successfully listed in Shanghai Stock Exchange in March, 2003. Huahai Pharmaceutical...

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Nuray Chemicals Private L...

Nuray is an expert in the synthesis of Niche novel APIs, the first to launch Generics, NCEs, Advanced Intermediates // USFDA certified.

Aarti Pharmalabs

Aarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

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Nuray Chemicals Private L...

Nuray is an expert in the synthesis of Niche novel APIs, the first to launch Generics, NCEs, Advanced Intermediates // USFDA certified.

Aarti Pharmalabs

Aarti Pharmalabs is a partner of choice for APIs & Intermediates and the largest Indian manufacturer of Xanthine Derivatives.

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