| CAS Number | 176447-94-2 |
| Catalog Number | AG0024OP(AGN-PC-0QAZ4C) |
| Chemical Name | Methanesulfonamide, N-[4-[2-[[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]- |
| IUPAC Name | N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide |
| InChI | InChI=1S/C18H25N3O5S2/c1-27(22,23)20-16-5-3-15(4-6-16)11-12-19-13-14-26-18-9-7-17(8-10-18)21-28(2,24)25/h3-10,19-21H,11-14H2,1-2H3 |
| InChI Key | JITIJIUDNAYXKK-UHFFFAOYSA-N |
| MDL Number | MFCD00871914 |
| Molecular Formula | C18H25N3O5S2 |
| Molecular Weight | 427.5382 |
| SMILES | CS(=O)(=O)NC1=CC=C(OCCNCCC2=CC=C(C=C2)NS(=O)(=O)C)C=C1 |
| Synonyms | 176447-94-2,
N-DESMETHYLDOFETILIDE,
N-(4-(2-((4-(Methylsulfonamido)phenethyl)amino)ethoxy)phenyl)methanesulfonamide,
N-Desmethyl dofetilide,
N-DesMethyldofetilifide,
CHEMBL992,
N-(4-(2-(4-(methylsulfonamido)phenethylamino)ethoxy)phenyl)methanesulfonamide,
Dofetilide Related CoMpound A,
SCHEMBL7853191,
EX-A598,
BCP15549,
MFCD00871914,
AKOS030621546,
UK71385,
Methanesulfonamide, N-[4-[2-[[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-,
AK668649,
N-[4-(2-{[2-(4-methanesulfonamidophenoxy)ethyl]amino}ethyl)phenyl]methanesulfonamide,
DOFETILIDE RELATED COMPOUND A (25 MG) (N-[4-(2-(2-[4-(METHANESULFONAMIDO)PHENOXY]ETHYL)AMINO)PHENYL]METHANESULFONAMIDE),
CID10455225,
N-[4-[2-[2-(4-methanesulfonamidophenyl)ethylamino]ethoxy]phenyl]methanesulfonamide,
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| Complexity | 642 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 427.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 427.534g/mol |
| Monoisotopic Mass | 427.124g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number