CAS 429658-95-7

Chemistry, 3 End Use API, 94 Related Intermediates

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Also known as: 429658-95-7, Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate, Dabigatran (ethyl ester), Bibr-951cl, Bibr 951, Bibr-951

Molecular Formula

C₂₇H₂₉N₇O₃

Molecular Weight

499.6 g/mol

InChI Key

BGLLICFSSKPUMR-UHFFFAOYSA-N

FDA UNII

KJ4EH9410G

1 2D Structure

CAS 429658-95-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

2.1.2 InChI

InChI=1S/C27H29N7O3/c1-3-37-25(35)13-15-34(23-6-4-5-14-30-23)27(36)19-9-12-22-21(16-19)32-24(33(22)2)17-31-20-10-7-18(8-11-20)26(28)29/h4-12,14,16,31H,3,13,15,17H2,1-2H3,(H3,28,29)

2.1.3 InChI Key

BGLLICFSSKPUMR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C(=N3)CNC4=CC=C(C=C4)C(=N)N)C

2.2 Other Identifiers

2.2.1 UNII

KJ4EH9410G

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 429658-95-7

2. Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

3. Dabigatran (ethyl Ester)

4. Bibr-951cl

5. Bibr 951

6. Bibr-951

7. Bibr0951

8. Kj4eh9410g

9. Chembl1231568

10. Beta-alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)-n-2-pyridinyl-, Ethyl Ester

11. Ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate

12. 3-({2-[(4-carbamimidoyl-phenylamino)-methyl]-3-methyl-3h-benzoimidazole-5-carbonyl}-pyridin-2-yl-amino)-propionic Acid Ethyl Ester

13. Ethyl 3-((2-((4-carbamimidoylanilino)methyl)-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino)propanoate

14. Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo(d)imidazole-5-carboxamido)propanoate

15. Ethyl N-((2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)-n-2-pyridinyl-beta-alaninate

16. Ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-pyridin-2-yl-beta-alaninate

17. Unii-kj4eh9410g

18. Ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl]-n-2-pyridinyl-beta-alaninate

19. Schembl3027080

20. Amy4166

21. Dtxsid40332231

22. Bcp12049

23. Zinc2043398

24. Bdbm50403047

25. Mfcd16294325

26. Stl450914

27. Akos015999747

28. Ncgc00378882-01

29. Ac-27058

30. Hy-17378

31. Db-070379

32. Ft-0765582

33. I11699

34. Q27282281

35. .beta.-alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)-n-2-pyridinyl-, Ethyl Ester

36. 1-methyl-2-[n-[4-amidinophenyl]-amino-methyl]-benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)-amide

37. 1-methyl-2-[n-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide

38. 1-methyl-2-[n-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-n-(2-pyridyl)-n-(2-ethoxy Carbonylethyl)amide

39. 1-methyl-2-[n-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide

40. 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate Hydrochloride

41. Ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoat

42. Ethyl 3-{[(2-[{(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate

43. Ethyl 3-{[(2-{[(4-{carbamimidoyl}phenyl)amino]methyl}-1-methyl-1h-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate

44. Ethyl N-((2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)-n-2-pyridinyl-.beta.-alaninate

45. Ethyl3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-n-(pyridin-2-yl)-1h-benzo[d]imidazole-5-carboxamido)propanoate

46. N-(2-pyridyl)-n-(3-oxo-3-ethoxypropyl)-1-methyl-2-(4-(amino(imino)methyl)anilinomethyl)-1h-benzoimidazole-5-carboxamide

47. N-2-4-(aminoiminomethyl)phenylaminomethyl-1-methyl-1h-benzimidazol-5-ylcarbonyl-n-2-pyridinyl-beta-alanine Ethyl Ester

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₂₉N₇O₃
Molecular Weight	499.6 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	499.23318781 g/mol
Monoisotopic Mass	499.23318781 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	788
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Dabigatran Etexilate Mesylate

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429658-95-7

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Ethyl 3-2-(4-amidinophenylamino) me...

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TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...

TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.

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Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...

Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.

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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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