3'-[N-BENZYL-N-(1-METHYL-2-PHENOXYETHYL)GLYCYL]METHANESULFONANILIDE, HYDROCHLORIDE, DIHYDRATE

SpectraBase Compound ID	KJzC8OZ8d6h
InChI	InChI=1S/C25H28N2O4S.ClH.2H2O/c1-20(19-31-24-14-7-4-8-15-24)27(17-21-10-5-3-6-11-21)18-25(28)22-12-9-13-23(16-22)26-32(2,29)30;;;/h3-16,20,26H,17-19H2,1-2H3;1H;2*1H2
InChIKey	VFJISHPVYYJZIT-UHFFFAOYSA-N Google Search
Mol Weight	525.06 g/mol
Molecular Formula	C25H33ClN2O6S
Exact Mass	524.174786 g/mol

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SpectraBase Spectrum ID	HkhsF26gwH6
Name	3'-[N-BENZYL-N-(1-METHYL-2-PHENOXYETHYL)GLYCYL]METHANESULFONANILIDE, HYDROCHLORIDE, DIHYDRATE
Source of Sample	R. H. Uloth, Mead Johnson & Company, Evansville, Indiana
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H33ClN2O6S
InChI	InChI=1S/C25H28N2O4S.ClH.2H2O/c1-20(19-31-24-14-7-4-8-15-24)27(17-21-10-5-3-6-11-21)18-25(28)22-12-9-13-23(16-22)26-32(2,29)30;;;/h3-16,20,26H,17-19H2,1-2H3;1H;2*1H2
InChIKey	VFJISHPVYYJZIT-UHFFFAOYSA-N
Literature Reference	JMCH 9, 88(1966)
Melting Point	105-114C
Molecular Weight	525.057007
Synonyms	METHANESULFONANILIDE, 3*-/N-BENZYL- N-/1-METHYL-2-PHENOXYETHYL/GLYCYL/-, HYDROCHLORIDE, DIHYDRATE
Technique	KBr WAFER