Products 1408238-39-0

CAS 1408238-39-0 appears in our catalog under these names: Dabigatran Impurity 20, Dabigatran Impurity 17. Offered by: Chemat Brand. Available pack sizes: on request.

Dabigatran Impurity 20
Chemat Brand
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  • Variants: 1
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Dabigatran Impurity 17
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Methyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate (CAS 1408238-39-0) is a chemical compound with the molecular formula C33H39N7O5 and a molecular weight of 613.7 g/mol. IUPAC name: methyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate. InChIKey: JYCBMCKZNSEICQ-UHFFFAOYSA-N.

Identity
Molecular formulaC33H39N7O5
Molecular weight613.7 g/mol
IUPAC namemethyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
InChIKeyJYCBMCKZNSEICQ-UHFFFAOYSA-N
SMILESCCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OC)C4=CC=CC=N4

Computed by PubChem (NCBI)

Synonyms: Dabigatran iMpurity J, Dabigatran Impurity 6, orb3181406
Related forms of this compound
methyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C33H39N7O5
Isomers (same molecular formula)
ethyl 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C33H39N7O5
ethyl 3-[[1-methyl-2-[[4-(N-pentoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate C33H39N7O5