3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-4-HYDROXY-1-(3-METHYLBUTYL)-3,4-DIHYDROQUINOLIN-2(1H)-ONE (CHEBI:40293)

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CHEBI:40293 - 3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-4-HYDROXY-1-(3-METHYLBUTYL)-3,4-DIHYDROQUINOLIN-2(1H)-ONE

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ChEBI ID	CHEBI:40293
ChEBI Name	3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-4-HYDROXY-1-(3-METHYLBUTYL)-3,4-DIHYDROQUINOLIN-2(1H)-ONE
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C21H23N3O4S
Net Charge	0
Average Mass	413.499
Monoisotopic Mass	413.14093
SMILES	[H]O[C@]1([H])c2c([H])c([H])c([H])c([H])c2N(C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)[C@]1([H])C1=Nc2c([H])c([H])c([H])c([H])c2S(=O)(=O)N1[H]
InChI	InChI=1S/C21H23N3O4S/c1-13(2)11-12-24-16-9-5-3-7-14(16)19(25)18(21(24)26)20-22-15-8-4-6-10-17(15)29(27,28)23-20/h3-10,13,18-19,25H,11-12H2,1-2H3,(H,22,23)/t18-,19+/m0/s1
InChIKey	MGKPBCDNJJGLBC-RBUKOAKNSA-N

ChEBI Ontology

Outgoing Relation(s)
	3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-4-HYDROXY-1-(3-METHYLBUTYL)-3,4-DIHYDROQUINOLIN-2(1H)-ONE (CHEBI:40293) is a unclassifieds (CHEBI:27189)

Synonyms	Source
3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-4-HYDROXY-1-(3-METHYLBUTYL)-3,4-DIHYDROQUINOLIN-2(1H)-ONE	PDBeChem
(3R,4S)-3-(1,1-dioxido-2H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1-(3-methylbutyl)-3,4-dihydroquinolin-2(1H)-one	PDBeChem

Manual Xrefs	Databases
888	PDBeChem