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N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester
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Name

N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester

 EINECS 695-000-6
CAS No. 429658-95-7 Density 1.31
PSA 139.22000 LogP 4.33750
Solubility N/A Melting Point N/A
Formula C27H30ClN7O3 Boiling Point 774.5 °C at 760 mmHg
Molecular Weight 499.572 Flash Point 422.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 429658-95-7 (Dabigatran ethyl AcOH Salt) Hazard Symbols N/A
Synonyms

Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate;N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester;C24;Dabigatran ethyl ester;Dabigatran ethyl AcOH Salt;3-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-5-CARBONYL}-PYRIDIN-2-YL-AMINO)-PROPIONIC ACID ETHYL ESTER;

Article Data 31

N-[[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-beta-alanine ethyl ester Chemical Properties

Molecular Structure of ethyl 3-(2-((4-carbamimidoylphenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrochloride (CAS NO.429658-95-7):

Empirical Formula: C27H30ClN7O3
Molecular Weight: 536.0252
H bond acceptors: 10
H bond donors: 4
Freely Rotating Bonds: 11
Polar Surface Area: 139.22Å2
Flash Point: 422.2 °C
Enthalpy of Vaporization: 114.7 kJ/mol
Boiling Point: 774.5 °C at 760 mmHg
Vapour Pressure: 2.16E-24 mmHg at 25°C
SMILES: Cl.CCOC(=O)CCN(c1ccccn1)C(=O)c2ccc4c(c2)nc(CNc3ccc(cc3)C(N)=N)n4C
InChI: InChI=1/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

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