CAS 211914-50-0

Chemistry, 4 End Use API, 93 Related Intermediates

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Also known as: 211914-50-0, Dabigatran ethyl ester hydrochloride, Dabigatran (ethyl ester hydrochloride), Dabigatran ethyl ester hcl, Dbb8w334an, B-alanine,n-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]-n-2-pyridinyl-, ethyl ester

Molecular Formula

C₂₇H₃₀ClN₇O₃

Molecular Weight

536.0 g/mol

InChI Key

FHWBKCGBULSVFO-UHFFFAOYSA-N

FDA UNII

DBB8W334AN

1 2D Structure

CAS 211914-50-0

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;hydrochloride

2.1.2 InChI

InChI=1S/C27H29N7O3.ClH/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);1H

2.1.3 InChI Key

FHWBKCGBULSVFO-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.Cl

2.2 Other Identifiers

2.2.1 UNII

DBB8W334AN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 211914-50-0

2. Dabigatran Ethyl Ester Hydrochloride

3. Dabigatran (ethyl Ester Hydrochloride)

4. Dabigatran Ethyl Ester Hcl

5. Dbb8w334an

6. B-alanine,n-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1h-benzimidazol-5-yl]carbonyl]-n-2-pyridinyl-, Ethyl Ester

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

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

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

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

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

12. Unii-dbb8w334an

13. Schembl724895

14. Dtxsid00593523

15. Bcp12570

16. Cs-m2754

17. Akos016007808

18. Gs-0902

19. Ac-22315

20. Dabigatran Ethyl Ester Hydrochloride Salt

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

22. Hy-77521

23. Db-066445

24. Ft-0696294

25. 1-methyl-2-[-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide Hydrochloride

26. 1-methyl-2-[n-(4-amidinophenyl) Aminomethyl]-benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide Hydrochloride

27. 1-methyl-2-[n-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride

28. 1-methyl-2-[n-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylicacid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride

29. 1-methyl-2-[n-(4-amidinophenyl)aminomethyl]-benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide Hydrochloride

30. 1-methyl-2-[n-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic Acid-n-(2-pyridyl)-n-(2-ethoxycarbonylethyl)amide Hydrochloride

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

32. Ethyl 3-[1-(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1h-1,3-benzodiazol-5-yl)-n-(pyridin-2-yl)formamido]propanoate Hydrochloride

33. Ethyl N-{2-[(4-carbamimidoylanilino)methyl]-1-methyl-1h-benzimidazole-5-carbonyl}-n-pyridin-2-yl-beta-alaninate--hydrogen Chloride (1/1)

2.4 Create Date

2007-12-04

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₃₀ClN₇O₃
Molecular Weight	536.0 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	535.2098655 g/mol
Monoisotopic Mass	535.2098655 g/mol
Topological Polar Surface Area	139 Å²
Heavy Atom Count	38
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	2

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N-[[2-[[[4-(Aminoiminomethyl) Pheny...

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Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredient...

Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled with innovative R&D, Almelo boasts of having various reputed domestic and multi-national companies as its customers.

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Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...

Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules

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Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globall...

Mehta API Pvt Ltd engaged in manufacturing and marketing of APIs & Advance Drug Intermediates.... Globally. Mehta Api has been inordinately proud of its achievements since its inception .Our journey is paved with many success stories. Much of it has, in many ways, been unprecedented in the Pharma industry. Our success has been validated by what we hold the dearest - Product Excellence and Customer service. We believe that long-term business success is rooted in value. Business ethics are good business; they are like a long-term insurance policy. We are committed to Excellence in Product Quality and adherence to stringent delivery schedule.

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