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CAS 231278-84-5
Also known as: 231278-84-5, 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde, 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde, Lapatinib metabolite m11, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde, Xa9x87f37h
Molecular Formula
C26H17ClFN3O3
Molecular Weight
473.9  g/mol
InChI Key
XQPZOUAAXRXPAM-UHFFFAOYSA-N
FDA UNII
XA9X87F37H

1 2D Structure

CAS 231278-84-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde
2.1.2 InChI
InChI=1S/C26H17ClFN3O3/c27-22-12-19(5-8-25(22)33-14-16-2-1-3-18(28)10-16)31-26-21-11-17(4-7-23(21)29-15-30-26)24-9-6-20(13-32)34-24/h1-13,15H,14H2,(H,29,30,31)
2.1.3 InChI Key
XQPZOUAAXRXPAM-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=C(O5)C=O)Cl
2.2 Other Identifiers
2.2.1 UNII
XA9X87F37H
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 231278-84-5

2. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde

3. 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-carbaldehyde

4. Lapatinib Metabolite M11

5. 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-2-furancarboxaldehyde

6. Xa9x87f37h

7. [5-[4-[4-[(3-fluorobenzyl)oxy]-3-chloroanilino]-6-quinazolinyl]-2-furancarboxaldehyde

8. (5-(4-(4-((3-fluorobenzyl)oxy)-3-chloroanilino)-6-quinazolinyl)-2-furancarboxaldehyde

9. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-amino)quinazolin-6-yl)furan-2-carbaldehyde

10. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)furan-2-carboxaldehyde

11. 5-(4-(3-chloro-4-(3-fluorobenzyloxy)-anilino)-6-quinazolinyl)furan-2-carboxaldehyde

12. 5-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)furan-2-carbaldehyde

13. 5-(4-(4-(3-fluorobenzyloxy)-3-chlorophenylamino)quinazolin-6-yl)furan-2-carbaldehyde

14. 2-furancarboxaldehyde, 5-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-

15. 2-furancarboxaldehyde, 5-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-

16. 5-(4-((3-chloro-4-((3-fluorophenyl)methoxy)phenyl)amino)-6-quinazolinyl)-2-furancarboxaldehyde

17. 5-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)quinazolin-6-yl]furan-2-carbaldehyde

18. 5-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)-2-furaldehyde

19. 5-(4-[3-chloro-4-(3-fluorobenzyloxy)-anilino]-6-quinazolinyl)-furan-2-carbaldehyde

20. 5-(4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-carbaldehyde

21. 5-(4-{3-chloro-4-(3-fluorobenzyloxy)-anilino}-6-quinazolinyl)-furan-2-carbaldehyde

22. 5-(4-{3-chloro-4-[(3-fluorophenyl)methoxy]anilino}quinazolin-6-yl)furan-2-carbaldehyde

23. 5-[4-[[3-chloro-4-[(3-fluorobenzyl)oxy]phenyl]amino]quinazolin-6-yl]furan-2-carboxaldehyde

24. 5-{4-[3-chloro-4-(3-fluorobenzyloxy)phenylamino]quinazolin-6-yl}furan-2-carbaldehyde

25. Lapatinib Impurity 9

26. Unii-xa9x87f37h

27. Schembl142106

28. Chembl3527095

29. Dtxsid00457833

30. Bcp22640

31. Mfcd10565688

32. Zinc22054569

33. Akos015888618

34. 16,17-epoxypregnenoloneacetate

35. Ac-8335

36. Sb18205

37. As-18220

38. Am20090639

39. Cs-0100421

40. Ft-0659647

41. F11830

42. 278c845

43. A816574

44. Q-101358

45. 5-(4-(4-(3-fluorobenzyloxy)-3-chloroanilino)-6-quinazolinyl)furan-2-formaldehyde

46. 5-(4-{3-chloro-4-(3-fluorobenzyloxy)-anilino}-6-quinazol Inyl)-furan-2-carbaldehyde

47. 5-(4-{3-chloro-4-[(3-fluorobenzyl)oxy]anilino}-6-quinazolinyl)-2-furaldehyde

48. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-quinazolin-6-yl]-2-furaldehyde

49. 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy] Phenyl}amino)quinazolin-6-yl]-2-furaldehyde

50. 5-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl} Amino)quinazolin-6-yl]-2-furaldehyde

51. 5-[4-[3-chloro-4-(3-fluorobenzyloxy)anilino]-6-quinazolinyl]furan-2-carboxaldehyde

52. 5-[4-[3-chloro-4-(3-fluorobenzyloxy)anilino]quinazoline-6-yl]furan-2-carbaldehyde

53. 5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]-6-quinazolinyl]-2-furancarboxaldehyde

54. 5-{-4-[4-(3-fluoro-benzyloxy)-3-chloroanilino]-6-quinazolinyl}-2-furaldehyde

55. 5-{4-[4-(3-fluoro-benzyloxy)-3-chloroanilino]-6-quinazolinyl}-2-furaldehyde

56. N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-formyl-2-furyl)-4-quinazolinamine

57. 5-[4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl]-2-furaldehyde (lapatinib Intermediate)

58. 5-[4-[[3-chloranyl-4-[(3-fluorophenyl)methoxy]phenyl]amino]quinazolin-6-yl]furan-2-carbaldehyde

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 473.9 g/mol
Molecular Formula C26H17ClFN3O3
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass473.0942473 g/mol
Monoisotopic Mass473.0942473 g/mol
Topological Polar Surface Area77.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity675
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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Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd. (BJ Zhongshuo) was established in 2001....
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Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...
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Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and ...
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231278-20-9
Lapatinib Ditosylate
Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and ...
Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals. The marketing department is located in Nanjing. We have two GMP facilities in Jiangsu Province and cooperative factories in Zhejiang Province. The leading products range of the company is oncology and anti-diabetes . We also specialize in custom synthesis and contract research which demonstrates our state-of-the-art technology and capacity of synthesis.
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31278-84-5
Lapatinib Ditosylate
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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231278-20-9
Lapatinib Ditosylate
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shangha...
Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into a comprehensive entity engaged in and marketing, developing and manufacturing of Active Pharmaceutical Ingredients, intermediates and fine chemicals.Our collaboration production site is in the national chemical park in our city: Nantong Rudong Yangkou Chemical park. Available test instrument in the production site: IR, UV, HPLC, GC, etc.. Production equipment: More than 50 reactors, size from 1L to 3000L , reaction temperature from -10℃ to +300℃.
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202197-26-0
Lapatinib Ditosylate
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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16064-08-7
Lapatinib Ditosylate
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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32084-59-6
Lapatinib Ditosylate
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technolog...
Ningbo Chemgoo is a R&D-driven company with core technology of organic chemistry, dedicating in technology development and industrialization. We provide intermediates from gram scale to hundreds of Kg to domestic and abroad customers in pharmaceutical area. The R&D center occupies around 3,000m2, equipped with gram scale labs, pilot labs, analysis center, safety assessment lab and platform for flow chemistry. The company has successfully developed more than 60 projects. The main products of Telmisartan intermediates widely win good reputation in markets.
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7681-65-4
Linezolid
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating...
We are a top producer of Pharmaceutical Intermediates, Specialty Chemicals, and More, with origins dating back to 1998. Globally renowned for its Organic Compounds, Inorganic Compounds, Industrial Acids, Industrial Chemicals, Zinc Acetates, Calcium Chloride Dihydrates, Speciality Chemicals, and other products, Sagar Life Science Private Limited is a customer-centric business with a primary focus on innovations, quality, and customization. Since sustainability is among our core values, we concentrate on improving the efficiency of our processes to manufacture sustainable results.
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56553-60-7
Lapatinib Ditosylate
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business backgro...
Sanpra Synthesis strongly believes that with its expertise and innovative pharmaceutical business background, it is aptly positioned for APIs and intermediates manufacturing and outsourcing for the global market. We also undertake custom synthesis and contract manufacturing. Setting up multiple c GMP-manufacturing facility and world-class R&D center located in Vizag APSEZ De-notified area with well connected to road, rail, and air enabling cargo movement to the nearest transport facility in commercial production from January 2020.
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4637-24-5
Lapatinib Ditosylate
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best qualit...
Shree Ganesh Remedies is established Since 1995 with an aim to manufacture, supply and export best quality of Pharmaceutical-intermediates, Bulk drugs and Speciality Chemicals to cater the needs of pharmaceutical companies and drug companies for research and product development purpose
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4637-24-5
Lapatinib Ditosylate
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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174649-09-3
Linezolid
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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174649-09-3
Linezolid
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) f...
SLN Pharmachem was setup in 1997 with an objective to provide technology based products (Intermediates) for Pharmaceutical, Cosmetic and Fine Chemical Industry. SLN Pharmachem is an ISO certified and has its manufacturing unit backed up by professionals who are desirous in manufacturing new, difficult to produce molecules with success to achieve the best quality standards in the international competition.
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224323-51-7
Linezolid
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech ...
Xi'an caijing opto-Electrical Science & Technology Co.,Ltd.(briefed as CJOE), located in Xi'an High-Tech Development Zone with a registered capital of 90 million Yuan, is a high-tech joint-stock enterprise and has been engaged in manufacture, R & D and trade. Our major investors are well-known domestic institute and companies including: Xi'an Modern Chemistry Research Institute, Xi'an DongFang Group.,Ltd, Beijing Minghang Science & Technology Development Co., Ltd. etc. We have the self-supported import and export right and our business is dedicated to liquid crystal display materials, organic electroluminescent materials and fine chemicals.
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