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 Name (2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:128231
Stars This entity has been manually annotated by a third party.
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Formula C22H29FN2O4S
Net Charge 0
Average Mass 436.542
Monoisotopic Mass 436.18321
InChI InChI=1S/C22H29FN2O4S/c1-15-12-25(16(2)14-26)30(27,28)22-10-7-18(17-5-8-19(23)9-6-17)11-20(22)29-21(15)13-24(3)4/h5-11,15-16,21,26H,12-14H2,1-4H3/t15-,16-,21+/m0/s1
InChIKey RACODSLPTPSRLF-CKJXQJPGSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)F)O[C@@H]1CN(C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing (2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:128231) is a organofluorine compound (CHEBI:37143)
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