Chemeca Drugs

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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Digital Content

2-(4-Cyanophenyl)aminoaceticacid

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CAS Number

42288-26-6

End Use API

Dabigatran Etexilate Mesylate

About the Company

Chemeca Drugs Private Limited was erstwhile M/s. Vegesna Laboratories Pvt Limited. M/s. Vegesna Laborator...

Chemeca Drugs Private Limited was erstwhile M/s. Vegesna Laboratories Pvt Limited. M/s. Vegesna Laboratories Pvt Limited is a Private limited company having its Manufacturing Facility Unit at JN Pharmacity, Visakhapatnam established in the year 2008. Vegesna has become synonymous for its quality, deliveries, commitment & transparency making it a dependable & reliable partner to industry majors like DRL, Lupin, SUN PHARMA and Mylan by entering into long term strategic relationship for new products. We also provide contract manufacturing services for APIs and Intermediates.

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