Dabigatran Impurity 52

cas: 1416446-45-1 — see every product listed under this CAS number, including other names

Dabigatran Impurity 52 (CAS 1416446-45-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULD5985
cas1416446-45-1
sizeon request
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Structural formula: {0} (CAS {1})

Ethyl 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate (CAS 1416446-45-1) is a chemical compound with the molecular formula C33H39N7O5 and a molecular weight of 613.7 g/mol. IUPAC name: ethyl 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate. InChIKey: FUBVLRONLFSMCB-UHFFFAOYSA-N.

Identity
Molecular formulaC33H39N7O5
Molecular weight613.7 g/mol
IUPAC nameethyl 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
InChIKeyFUBVLRONLFSMCB-UHFFFAOYSA-N
SMILESCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4

Computed by PubChem (NCBI)

Synonyms: Dabigatran Impurity N1, orb3181177, Dabigatran Etexilate iMpurity C5, Dabigatran Etexilate Impurity 136, Dabigatran Etexilate Impurity 155
Related forms of this compound
ethyl 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C33H39N7O5
Isomers (same molecular formula)
methyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C33H39N7O5
methyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C33H39N7O5

Also listed as

Ethyl 3-(1-methyl-2-(((4-(N-((pentyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate (Dabigatran Impurity), 98%, 98% Chemat CAS 1416446-45-1
Dabigatran impurity 52, 98.45% MedChemExpress CAS 1416446-45-1
Ethyl 3-(1-methyl-2-(((4-(N-((pentyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate (Dabigatran Impurity), 98% Fluorochem CAS 1416446-45-1