but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
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![but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/efc4c48bf9854d53af013ee0f7b1d974.png "but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide")
but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
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CAS No:
1807940-66-4
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Formula:
C44H76N4O10S2
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Chemical Name:
but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
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Synonyms:
Ibutilide (fumarate);U70226E;NCGC00181771-01;1807940-66-4;bis(N-(4-{4-[ethyl(heptyl)amino]-1-hydroxybutyl}phenyl)methanesulfonamide); but-2-enedioic acid;CHEMBL3187455;HMS3655N19;MCULE-4761007717;AK00239330;FT-0659522;Z1583164903
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CAS No:
but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide Basic Attributes
885.2 g/mol
884.50028698 g/mol
Computed Properties
Molecular Weight:885.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:30
Exact Mass:884.50028698
Monoisotopic Mass:884.50028698
Topological Polar Surface Area:231
Heavy Atom Count:60
Complexity:561
Undefined Atom Stereocenter Count:2
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:3
Compound Is Canonicalized:Yes
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