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CAS 85175-59-3
Also known as: 85175-59-3, 3-(3-chloropropyl)-7,8-dimethoxy-1h-3-benzazepin-2-one, 3-(3-chloropropyl)-7,8-dimethoxy-1h-3-benzazepin-2(3h)-one, 2h-3-benzazepin-2-one, 3-(3-chloropropyl)-1,3-dihydro-7,8-dimethoxy-, 1-(7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on-3-yl)-3-chloro-propane, 1-[7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on-3-yl]-3-chloro-propane
Molecular Formula
C15H18ClNO3
Molecular Weight
295.76  g/mol
InChI Key
ODEZTTCXWTUAJT-UHFFFAOYSA-N

1 2D Structure

CAS 85175-59-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-(3-chloropropyl)-7,8-dimethoxy-1H-3-benzazepin-2-one
2.1.2 InChI
InChI=1S/C15H18ClNO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3
2.1.3 InChI Key
ODEZTTCXWTUAJT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C2C=CN(C(=O)CC2=C1)CCCCl)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 85175-59-3

2. 3-(3-chloropropyl)-7,8-dimethoxy-1h-3-benzazepin-2-one

3. 3-(3-chloropropyl)-7,8-dimethoxy-1h-3-benzazepin-2(3h)-one

4. 2h-3-benzazepin-2-one, 3-(3-chloropropyl)-1,3-dihydro-7,8-dimethoxy-

5. 1-(7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on-3-yl)-3-chloro-propane

6. 1-[7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on-3-yl]-3-chloro-propane

7. 3-(3-chloro-propyl)-7,8-dimethoxy-1,3-dihydro-benzo[d]azepin-2-one

8. Schembl2450139

9. Dtxsid80517924

10. 3-(3-chloropropyl)-7,8-dimethoxy-1h-benzo[d]azepin-2(3h)-one

11. Bcp10458

12. Mfcd09955404

13. Zinc22007307

14. Akos015907757

15. Ac-1910

16. Ds-13679

17. Db-076269

18. Am20090733

19. Cs-0150549

20. Ft-0655534

21. F19250

22. 175c593

23. A841251

24. 1-(7,8-dimethoxy-1,3 Dihydro-2h-3-benzazepin-2-on-3-yl)-3-chloropropane

25. 1-(7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on-3-yl)-3-chloropropane

26. 1-(7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on3-yl)-3-chloro-propane

27. 3-(3-chloropropyl)-7,8-dimetho?xy-1,3-dihydro-2h-3-benzazepin?-2-one

28. 3-(3-chloropropyl)-7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-one

29. 1-(7,8-dimethoxy-1,3-dihydro-2h-3-benzazepin-2-on-3-yl) -3-chloro Propane

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 295.76 g/mol
Molecular Formula C15H18ClNO3
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass295.0975211 g/mol
Monoisotopic Mass295.0975211 g/mol
Topological Polar Surface Area38.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
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85175-59-3
Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
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Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs...
Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth therapeutic areas, with an emphasis on affordability, quality and timely delivery. It also provides end-to-end CDMO services. Headquartered in Hyderabad, Tagoor Labs is a fast-growing Indian pharma company that serves both branded and generic companies worldwide. The company’s organizational function includes R&D, supply chain, manufacturing, quality testing, quality assurance, regulatory affairs, marketing & sales, and packaging & warehousing departments.
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85175-59-3
Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...
Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jiangsu Province. It is a new and high-tech enterprise engaged in research and production of bulk pharmaceutical chemicals, medical high-grade intermediate and other fine chemicals. We make efforts to provide wide customers with superior quality product. Covering an area of 66400 square meters and a construction area of 37600 square meters, our company has 8 synthesis plants, 1 GMP and FDA standard cleaning shop, modern and advanced production equipment, leading grade laboratory and excellent quality control center. In addition, there is outstanding technology development, production and management talents. Due to high quality and superior service, our products have been exported to Japan, South Korea, India and Europe. We sincerely welcome wide customers to visit us and pay guidance on our work! We would like to create brilliant future hand in hand with you!
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Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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