(2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114050)

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CHEBI:114050 - (2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

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ChEBI ID	CHEBI:114050
ChEBI Name	(2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C19H29BrN2O4S
Net Charge	0
Average Mass	461.422
Monoisotopic Mass	460.10314
SMILES	C[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)Oc2cc(Br)ccc2S1(=O)=O
InChI	InChI=1S/C19H29BrN2O4S/c1-13-9-22(14(2)12-23)27(24,25)19-7-6-16(20)8-17(19)26-18(13)11-21(3)10-15-4-5-15/h6-8,13-15,18,23H,4-5,9-12H2,1-3H3/t13-,14+,18-/m0/s1
InChIKey	NQKVBKPKEYEFNC-IYOUNJFTSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2R)-2-[(4S,5R)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:114050) is a aromatic ether (CHEBI:35618)

Manual Xrefs	Databases
LSM-25482	LINCS