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CAS 129722-34-5
Also known as: 129722-34-5, 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-2(1h)-quinolinone, 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one, 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one
Molecular Formula
C13H16BrNO2
Molecular Weight
298.18  g/mol
InChI Key
URHLNHVYMNBPEO-UHFFFAOYSA-N

1 2D Structure

CAS 129722-34-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
7-(4-bromobutoxy)-3,4-dihydro-1H-quinolin-2-one
2.1.2 InChI
InChI=1S/C13H16BrNO2/c14-7-1-2-8-17-11-5-3-10-4-6-13(16)15-12(10)9-11/h3,5,9H,1-2,4,6-8H2,(H,15,16)
2.1.3 InChI Key
URHLNHVYMNBPEO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC(=O)NC2=C1C=CC(=C2)OCCCCBr
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 129722-34-5

2. 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone

3. 7-(4-bromobutoxy)-3,4-dihydro-2(1h)-quinolinone

4. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2-one

5. 7-(4-bromobutoxy)-3,4-dihydro-2-quinolinone

6. 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one

7. 2(1h)-quinolinone, 7-(4-bromobutoxy)-3,4-dihydro-

8. (1h)-7-(4'-bromobutoxy)-3,4-dihydro-2-quinolinone

9. 7-(4-bromobutoxy)-3,4-dihydroquinolinone

10. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one

11. Mfcd06658540

12. 7-(4-bromobutoxy)-2(1h)-3,4-dihydroquinolinone

13. Aripiprazole Impurity

14. Aripiprazole Intermediates

15. Schembl8513

16. 7-(4-bromobutoxy)-1,2,3,4-tetrahydro-2-oxoquinoline

17. Dtxsid00441550

18. Bcp08864

19. Cs-d1542

20. Bbl011057

21. Stk802231

22. Zinc15919788

23. Akos005622563

24. Ac-8060

25. Sb32672

26. 7-(4-bromobutoxy)-3,4-dihydroquinolin-

27. 7-(4bromobutoxy)-3,4-dihydrocarbostyril

28. Aripiprazole Bromobutoxyquinoline Impurity

29. As-14609

30. Sy023585

31. 7-(4-bromobutoxy) 3,4-dihydrocarbostyril

32. 7-(4-bromobutoxy)-3,4-dihydrocarbostyril

33. Db-017885

34. Am20090765

35. B3333

36. Ft-0643115

37. 722b345

38. A805968

39. 7-(4-bromo-butoxy)-3,4-dihydro-1h-quinolin-2one

40. A1-01685

41. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinolin-2-one

42. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one-[d8]

43. 7-(4-bromobutoxy)-1,2,3,4-tetrahydroquinoline-2-one

44. F2135-0630

45. 7-(4-bromobutoxy)-3,4-dihydro-1h-quinolin-2-one;7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one

46. 7-(4-bromobutoxy)-3,4-dihydroquinolin-2-one; 3,4-dihydro-7-(4-bromobutoxy)-2(1h)-quinolinone; 7-(4-bromobutoxy)-3,4-dihydroquinolin-2(1h)-one

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 298.18 g/mol
Molecular Formula C13H16BrNO2
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass297.03644 g/mol
Monoisotopic Mass297.03644 g/mol
Topological Polar Surface Area38.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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498-02-2
Brexpiprazole
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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2901-44-2
Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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22246-18-0
Aripiprazole
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.
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119532-26-2
Aripiprazole
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, ...
Ramdev Chemicals Pvt. Ltd. is one of the fastest growing Active Pharmaceuticl Drugs, Drug Intermediates, Storage Fine Chemical Company in India which have specialty in Synthesis Molecules & Chemical Preparation. We are Bulk Drugs and Chemical manufactures, Suppliers and Exporters. We have very strong team of Technocrats & Technical People engaged mainly into the New Molecules for various Multinational Companies. The company is now aimed towards the International Market & as our first step to it, we have started implementation of ISO 9001:2000 which is expected to be completed by end of 2002.
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Aripiprazole
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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70500-72-0
Brexpiprazole
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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22246-18-0
Aripiprazole
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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5118-13-8
Brexpiprazole
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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22246-18-0
Aripiprazole
RR LIFESCIENCES manufactures products purely by organic synthesis to offer its customers a choice of prod...
RR LIFESCIENCES manufactures products purely by organic synthesis to offer its customers a choice of products in their areas. Our facilities are equipped with a range of reactor sizes, glass lined reactors and S.S. Reactors, some reactors are capable of operating at high extreme temperature. Other equipments includes Centrifuges, Vacuum Tray Drier, Multi Mills, Tray Drier, in clean finishing suites. All Our facilities are GMP complaint, designed to maintain the highest standards of safety. Our R&D scale-up capabilities from lab scale to commercialization. Our team of experts interacts with our customers from the initial stages of the project to ensure successful completion of the project. We follow stringent quality assurance norms and it has the domain expertise and state of art of facilities to develop analytical methods for evaluating quality of raw materials, intermediates and final products. Our R&D scale-up capabilities from lab scale to commercialization. Our team of experts interacts with our customers from the initial stages of the project to ensure successful completion of the project. We follow stringent quality assurance norms and it has the domain expertise and state of art of facilities to develop analytical methods for evaluating quality of raw materials, intermediates and final products.
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179321-49-4
Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, locat...
Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, located in Ningbo, China. Specializes in exporting and importing pharmaceutical intermediates and chemical products as well as active pharmaceutical ingredients.
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821-48-7
Aripiprazole
Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical com...
Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical company creating global solutions. We are a dynamic chemical synthesis company associated with the pharmaceutical and life sciences industry. For projects that involve complex chemistry and technological excellence & Import substitutes, we have a team that has a proven track record delivering - every time. We are the leading manufacturer & exporter of a broad range of pharmaceutical active ingredients and intermediates which are extensively used in various finished doses & research laboratories.
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119532-26-2
Aripiprazole
Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical com...
Established in 2006, SPC Lifesciences is a truly knowledge driven and fully integrated pharmaceutical company creating global solutions. We are a dynamic chemical synthesis company associated with the pharmaceutical and life sciences industry. For projects that involve complex chemistry and technological excellence & Import substitutes, we have a team that has a proven track record delivering - every time. We are the leading manufacturer & exporter of a broad range of pharmaceutical active ingredients and intermediates which are extensively used in various finished doses & research laboratories.
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76308-26-4
Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Rese...
Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Research and Manufacturing Services (CRAMS), Custom Synthesis, and cGMP scale manufacturing services necessary for the large-scale production of Active Pharmaceutical Ingredients (APIs), Saleable Intermediates for APIs, and Key Starting Materials (KSMs). It operates as a specialized pharmaceutical bulk drug manufacturing entity located in India.
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Aripiprazole
Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Rese...
Suraj Laboratories Private Limited, established in 2021, is a pharmaceutical firm providing Contract Research and Manufacturing Services (CRAMS), Custom Synthesis, and cGMP scale manufacturing services necessary for the large-scale production of Active Pharmaceutical Ingredients (APIs), Saleable Intermediates for APIs, and Key Starting Materials (KSMs). It operates as a specialized pharmaceutical bulk drug manufacturing entity located in India.
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Aripiprazole
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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917342-29-1
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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119532-26-2
Aripiprazole
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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76308-26-4
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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120004-79-7
Aripiprazole
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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Aripiprazole
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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