(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128231)

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CHEBI:128231 - (2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-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:128231
ChEBI Name	(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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Formula	C22H29FN2O4S
Net Charge	0
Average Mass	436.549
Monoisotopic Mass	436.18321
SMILES	C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2O[C@@H]1CN(C)C
InChI	InChI=1S/C22H29FN2O4S/c1-15-12-25(16(2)14-26)30(27,28)22-10-7-18(17-5-8-19(23)9-6-17)11-20(22)29-21(15)13-24(3)4/h5-11,15-16,21,26H,12-14H2,1-4H3/t15-,16-,21+/m0/s1
InChIKey	RACODSLPTPSRLF-CKJXQJPGSA-N

ChEBI Ontology

Outgoing Relation(s)
	(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128231) is a organofluorine compound (CHEBI:37143)

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LSM-39786	LINCS