Dabigatran Etexilate
ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Molecular Identity
Dabigatran Etexilate
ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
PubChem CID: 135565674
2D Structure
Properties
C34H41N7O5
Molecular Formula
627.70
Molecular Weight
g/mol
627.3169
Exact Mass
Da
5.3
XLogP
Above Lipinski threshold
152
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
991
Complexity
SMILES
Canonical SMILES
SMILES: CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4Isomeric SMILES
SMILES: CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4Synonyms(20)
Dabigatran etexilate211915-06-9PrazaxaPradaxBIBR 1048 BS RS1DTXSID40576812E18WX195XBIBR1048DTXCID5031470Ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoateEthyl 3-(((2-(((4-((((hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)(pyridin-2-yl)amino)propanoateethyl 3-(1-{2-[({4-[amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoateethyl 3-((2-((4-(N-hexoxycarbonylcarbamimidoyl)anilino)methyl)-1-methylbenzimidazole-5-carbonyl)-pyridin-2-ylamino)propanoateethyl 3-(1-(2-(((4-(amino((((hexyloxy)carbonyl)imino))methyl)phenyl)amino)methyl)-1-methyl-1H-1,3-benzodiazol-5-yl)-N-(pyridin-2-yl)formamido)propanoateEtexilate, Dabigatran
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Dabigatran Etexilate
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