CHEBI:103787 - (2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-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 Name (2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:103787
Stars This entity has been manually annotated by a third party.
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Formula C23H27FN2O4S
Net Charge 0
Average Mass 446.537
Monoisotopic Mass 446.16756
InChI InChI=1S/C23H27FN2O4S/c1-16-14-26(17(2)15-27)31(28,29)23-11-9-18(12-21(23)30-22(16)13-25-3)8-10-19-6-4-5-7-20(19)24/h4-7,9,11-12,16-17,22,25,27H,13-15H2,1-3H3/t16-,17-,22+/m1/s1
InChIKey SJHPEWGCSFZDDK-YVHKJVDXSA-N
SMILES C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC3=CC=CC=C3F)O[C@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing (2R)-2-[(4R,5R)-8-[2-(2-fluorophenyl)ethynyl]-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:103787) is a organofluorine compound (CHEBI:37143)
Manual Xref Database
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