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CHEBI:96299 - (2R)-2-[(4R,5S)-8-(3-fluorophenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

Default Structure
ChEBI IDCHEBI:96299
ChEBI Name(2R)-2-[(4R,5S)-8-(3-fluorophenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
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DownloadsMolfile
FormulaC24H33FN2O4S
Net Charge0
Average Mass464.603
Monoisotopic Mass464.21451
SMILESCCCN(C)C[C@H]1Oc2cc(-c3cccc(F)c3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C
InChIInChI=1S/C24H33FN2O4S/c1-5-11-26(4)15-23-17(2)14-27(18(3)16-28)32(29,30)24-10-9-20(13-22(24)31-23)19-7-6-8-21(25)12-19/h6-10,12-13,17-18,23,28H,5,11,14-16H2,1-4H3/t17-,18-,23-/m1/s1
InChIKeyBJNIKYIOOVPCTN-PMAPCBKXSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4R,5S)-8-(3-fluorophenyl)-4-methyl-5-[[methyl(propyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:96299) is a organofluorine compound (CHEBI:37143)
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