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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

CAS 85175-59-3
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

BUILDING BLOCK

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01

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2024 ACI Convention
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Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

(Z)-3-(3-chloropropyl)-7,8-diethyl-1H-benzo[d] aze...

CAS Number : 85175-59-3

End Use API :

About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

Jinan Tantu Chemicals

02

  • fda
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Virtual BoothTagoor's product development expertise, backed by our comprehensive understanding of the processes, helps us offer high-quality APIs.

3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-...

CAS Number : 85175-59-3

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About the Company : 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...

Tagoor Laboratories

03

2024 ACI Convention
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Aventus Labs

India
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3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-...

CAS Number : 85175-59-3

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About the Company : Aventus Labs is a forward-thinking pharmaceutical company committed to developing and delivering high-quality, effective healthcare solutions. With a focus on rigorous research and adhe...

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2024 ACI Convention
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7,8-DiMethoxy-3-(3-chloropropyl)-1,3-dihydro- 2H-3...

CAS Number : 85175-59-3

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About the Company : 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 prod...

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05

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2024 ACI Convention
Not Confirmed

3-(3-chloropropyl)-1,3-dihydro-7,8-diMethoxy-2H-3-...

CAS Number : CAS-85175-59-3

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About the Company : 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. Th...

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Rampex Labs

India
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3-(3-Chloropropyl)-7,8-Dimethoxy-1,3-Dihydro-2H-3-...

CAS Number : CAS-85175-59-3

End Use API :

About the Company : We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations st...

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