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Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate methanesulfonate (1:1)(CAS: 872728-81-9)

Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate methanesulfonate (1:1)
CAS Number

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Basic Information

Molecular Formula
C35H45N7O8S
Molecular Weight
723.85 g/mol

Physical Properties

Boiling Point
827.9°C at 760 mmHg

Chemical Identifiers

SMILES
CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c4ccccn4)cc1.CS(=O)(=O)O
InChIKey
XETBXHPXHHOLOE-UHFFFAOYSA-N

Database References

MDL Number
MFCD17215180

FAQ

Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate methanesulfonate (1:1) is a complex organic compound with CAS number 872728-81-9. It contains a beta-alanine moiety linked to a benzimidazole ring, making it a potential pharmaceutical intermediate. The compound is typically used in research settings due to its structural complexity and potential applications in drug development.
Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate methanesulfonate (1:1) (CAS: 872728-81-9) is primarily used in pharmaceutical research for the synthesis of bioactive compounds, particularly those involving benzimidazole and pyridine scaffolds. It may also find applications in drug development and as a precursor in chemical synthesis processes.
Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate methanesulfonate (1:1) (CAS: 872728-81-9) is generally considered safe when handled properly. However, as a chemical compound, it requires standard laboratory safety measures, including the use of personal protective equipment (PPE) and proper ventilation. Its toxicity profile is not well-documented, so it should be treated with caution and in accordance with safety guidelines for similar compounds.
Ethyl N-[(2-{[(4-{N'-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-2-pyridinyl-beta-alaninate methanesulfonate (1:1) (CAS: 872728-81-9) should be stored in a cool, dry, and dark place, away from moisture and light. It is recommended to keep it in a sealed container at a temperature below 25°C to maintain stability and prevent degradation.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures