Cas no 429658-95-7 (Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate)

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate structure
429658-95-7 structure
Product Name:Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
CAS No:429658-95-7
MF:C27H29N7O3
MW:499.564265012741
MDL:MFCD16294325
CID:823773
PubChem ID:446804
Update Time:2025-04-19

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
    • 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N -(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)prop anoate hydrochloride
    • Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
    • Dabigatran (ethyl ester)
    • DABIGATRAN ETHYL ACOH SALT
    • Dabigatran Ethyl Ester
    • Ethyl3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
    • N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-
    • N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-(2-pyridinyl)-beta-alanine ethyl ester
    • 3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER
    • AC1L9K40
    • C24
    • CHEBI:41302
    • CHEMBL1231568
    • CTK8B6269
    • SureCN3027080
    • ethyl 3-{[(2-{[(4-{carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate
    • Beta-alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester
    • Ethyl 3-((2-((4-carbamimidoylanilino)methyl)-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino)propanoate
    • UNII-KJ4EH9410G
    • Q27282281
    • 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide
    • BCP12049
    • DTXSID40332231
    • BGLLICFSSKPUMR-UHFFFAOYSA-N
    • BIBR0951
    • Dabigatran-ethyl ester (metabolite M2, BIBR0951)
    • DB-070379
    • Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzimidazole-5-carboxamido)propanoate
    • STL450914
    • Ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate
    • I11699
    • AC-27058
    • Dabigatran etexilate related compound B [USP]
    • ethyl 3-{[(2-[{(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl](pyridin-2-yl)amino}propanoate
    • 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxy carbonylethyl)amide
    • 429658-95-7
    • AKOS015999747
    • SCHEMBL3027080
    • beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester
    • BDBM50403047
    • Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo(d)imidazole-5-carboxamido)propanoate
    • 1-methyl-2-[N-[4-amidinophenyl]-amino-methyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)-amide
    • Ethyl N-((2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-alaninate
    • ETHYL N-((2-(((4-CARBAMIMIDOYLPHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-.BETA.-ALANINATE
    • BIBR-951
    • HY-17378
    • BIBR-951CL
    • .BETA.-ALANINE, N-((2-(((4-(AMINOIMINOMETHYL)PHENYL)AMINO)METHYL)-1-METHYL-1H-BENZIMIDAZOL-5-YL)CARBONYL)-N-2-PYRIDINYL-, ETHYL ESTER
    • 1-methyl-2-[N-[4-amidinophenyl]aminomethyl]benzimidazol-5-yl-carboxylicacid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl)amide
    • DTXCID90283325
    • ethyl N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate
    • C27H29N7O3
    • NCGC00378882-01
    • BIBR 951
    • KJ4EH9410G
    • ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
    • MDL： MFCD16294325
    • 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)
    • InChI Key： BGLLICFSSKPUMR-UHFFFAOYSA-N
    • SMILES： O=C(C1C=CC2=C(C=1)N=C(CNC1C=CC(C(=N)N)=CC=1)N2C)N(C1C=CC=CN=1)CCC(=O)OCC

Computed Properties

  • Exact Mass: 499.233
  • Monoisotopic Mass: 499.233
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 12
  • Complexity: 788
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 139A^2
  • XLogP3: 2.4

Experimental Properties

  • Density: 1.31
  • Boiling Point: 774.5°C at 760 mmHg
  • Flash Point: 774.5 °C at 760 mmHg
  • PSA: 139.22000
  • LogP: 4.33750

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Security Information

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Pricemore >>

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Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Ethanol
1.2 Reagents: Ammonium hydroxide Solvents: Water
Reference
Identification, Synthesis, and Strategy for the Reduction of Potential Impurities Observed in Dabigatran Etexilate Mesylate Processes
Zheng, Yong-Yong; et al, Organic Process Research & Development, 2014, 18(6), 744-750

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Raw materials

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(CAS:429658-95-7)Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
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Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate Related Literature

429658-95-7 (Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate) Related Products

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(CAS:429658-95-7)Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
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Price ($):860.0/430.0/254.0
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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:429658-95-7)達比加群酯雜質(zhì)81
LE25872537
Purity:99%
Quantity:25KG,200KG,1000KG
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