EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:106375 - (2R)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol

ChEBI IDCHEBI:106375
ChEBI Name(2R)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
Stars
DownloadsMolfile
FormulaC15H23BrN2O4S
Net Charge0
Average Mass407.330
Monoisotopic Mass406.05619
SMILESCNC[C@H]1Oc2cc(Br)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C
InChIInChI=1S/C15H23BrN2O4S/c1-10-8-18(11(2)9-19)23(20,21)15-5-4-12(16)6-13(15)22-14(10)7-17-3/h4-6,10-11,14,17,19H,7-9H2,1-3H3/t10-,11+,14+/m0/s1
InChIKeyJDNCUSTXITVPAM-MISXGVKJSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-[(4S,5S)-8-bromo-4-methyl-5-(methylaminomethyl)-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol (CHEBI:106375) is a aromatic ether (CHEBI:35618)
Manual XrefsDatabases
LSM-17734LINCS