Products 2096992-14-0

CAS 2096992-14-0 is the registry number for Dabigatran Impurity 53. Offered by: Chemat Brand. Available pack sizes: on request.

Dabigatran Impurity 53
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

Ethyl 3-[[1-methyl-2-[[4-[N-(2-methylpentoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate (CAS 2096992-14-0) is a chemical compound with the molecular formula C34H41N7O5 and a molecular weight of 627.7 g/mol. IUPAC name: ethyl 3-[[1-methyl-2-[[4-[N-(2-methylpentoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate. InChIKey: AFCWFXLNQUOIAD-UHFFFAOYSA-N.

Identity
Molecular formulaC34H41N7O5
Molecular weight627.7 g/mol
IUPAC nameethyl 3-[[1-methyl-2-[[4-[N-(2-methylpentoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
InChIKeyAFCWFXLNQUOIAD-UHFFFAOYSA-N
SMILESCCCC(C)COC(=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 Etexilate Impurity 149
Isomers (same molecular formula)
ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C34H41N7O5
ethyl 3-[[2-[[4-[N-(2-ethylbutoxycarbonyl)carbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C34H41N7O5
ethyl 3-[[2-[[4-(N-hexan-2-yloxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C34H41N7O5
ethyl 3-[[1-methyl-2-[[4-[N-(3-methylpentoxycarbonyl)carbamimidoyl]anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C34H41N7O5
ethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C34H41N7O5
ethyl 3-[[2-[[4-[N-(2-ethylbutoxycarbonyl)carbamimidoyl]anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C34H41N7O5