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
CAS: 211914-50-0
Nombre: ethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochloride
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

Molecular Processing

Molecular formula
C27H30ClN7O3
Molecular weight
536.04
Exact mass
535.2099
XLogP
3.89
TPSA
139.22
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
38
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
149.91

Supplementary Information

InChIKey: FHWBKCGBULSVFO-UHFFFAOYSA-N
Sinónimos
Ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate hydrochlorideEthyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo(d)imidazole-5-carboxamido)propanoate hydrochlorideRefChem:594623801-940-1211914-50-0Dabigatran Ethyl Ester HydrochlorideDabigatran (ethyl ester hydrochloride)Dabigatran Ethyl Ester Hydrochloride SaltDBB8W334ANUNII-DBB8W334ANethyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochlorideb-Alanine,N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl esterDabigatran Impurity 66beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester, hydrochloride (1:1)beta-Alanine, N-((2-(((4-(aminoiminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-, ethyl ester, monohydrochlorideFHWBKCGBULSVFO-UHFFFAOYSA-Nbeta-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, hydrochloride (1:1)beta-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, monohydrochloridess-Alanine, N-[[2-[[[4-(aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester, monohydrochloride (9CI); Dabigatran Ethyl Ester MonohydrochloridMFCD09833628C27H30ClN7O3SCHEMBL724895Dabigatran Etexilate Impurity Lorb1309791orb1707402SCHEMBL29943506DTXSID00593523CS-M2754LIA91450AKOS016007808
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