Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53441
Common Name:	Sotalol hydrochloride
Systematic Name:	N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide hydrochloride
Synonyms:	4'-(1-hydroxy-2-(isopropylamino)ethyl)methanesulfonanilide monohydrochloride; 4-(2-Isopropylamino-1-hydroxyaethyl)methanesulfonailid hydrochlorid; Betapace (TN); N-(2-hydroxy-2-{4-[(methylsulfonyl)amino]phenyl}ethyl)propan-2-aminium chloride; N-isopropyl-beta-(4-methanesulfonamidophenyl)ethanolamine hydrochloride; Sotalol hydrochloride; isopropylaminohydroxyethylmethanesulfonanilide hydrochloride; sotalol HCl; sotalol monohydrochloride [PubChem Synonyms]
Exact Mass:	308.0961 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C12H21ClN2O3S
InChIKey:	VIDRYROWYFWGSY-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Sulfanilides [C0000038]
ClassyFire direct parent:	Sulfanilides [C0000038]
MoNA MS spectra:	View MS spectra
SMILES:	CC(C)NCC(c1ccc(cc1)NS(=O)(=O)C)O.Cl
Studies:	-

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External database links:

PubChem CID:	66245
CHEBI ID:	9207
EPA CompTox DB:	DTXCID303589

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y