CHEBI:106197 - (2R)-2-[(4S,5R)-8-bromo-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-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
ChEBI ID CHEBI:106197
Stars This entity has been manually annotated by a third party.
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Formula C15H23BrN2O4S
Net Charge 0
Average Mass 407.324
Monoisotopic Mass 406.05619
InChI InChI=1S/C15H23BrN2O4S/c1-10-8-18(11(2)9-19)23(20,21)15-5-4-12(16)6-13(15)22-14(10)7-17-3/h4-6,10-11,14,17,19H,7-9H2,1-3H3/t10-,11+,14-/m0/s1
InChIKey JDNCUSTXITVPAM-WDMOLILDSA-N
SMILES C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@H]1CNC)[C@H](C)CO
ChEBI Ontology
Outgoing (2R)-2-[(4S,5R)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106197) is a aromatic ether (CHEBI:35618)
Manual Xref Database
LSM-17558 LINCS
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