(2R)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114066)

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CHEBI:114066 - (2R)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:114066
ChEBI Name	(2R)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C21H27FN2O4S
Net Charge	0
Average Mass	422.522
Monoisotopic Mass	422.16756
SMILES	CNC[C@H]1Oc2cc(-c3ccccc3F)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChI	InChI=1S/C21H27FN2O4S/c1-14-12-24(15(2)13-25)29(26,27)21-9-8-16(17-6-4-5-7-18(17)22)10-19(21)28-20(14)11-23-3/h4-10,14-15,20,23,25H,11-13H2,1-3H3/t14-,15-,20-/m1/s1
InChIKey	DTSMYPYKMZUDTF-STXHMFSFSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4R,5S)-8-(2-fluorophenyl)-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114066) is a organofluorine compound (CHEBI:37143)

Manual Xrefs	Databases
LSM-25498	LINCS