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CHEBI:124602 - N-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide

ChEBI IDCHEBI:124602
ChEBI NameN-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide
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DownloadsMolfile
FormulaC22H31N3O5S2
Net Charge0
Average Mass481.640
Monoisotopic Mass481.17051
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)c2cc(N(C)C)ccc2O[C@@H]1CN(C)S(=O)(=O)c1cccs1
InChIInChI=1S/C22H31N3O5S2/c1-15-12-25(16(2)14-26)22(27)18-11-17(23(3)4)8-9-19(18)30-20(15)13-24(5)32(28,29)21-7-6-10-31-21/h6-11,15-16,20,26H,12-14H2,1-5H3/t15-,16+,20-/m1/s1
InChIKeyCETUQOSYEZIMNW-GQIGUUNPSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:124602) is a dialkylarylamine (CHEBI:23665)
N-[[(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:124602) is a tertiary amino compound (CHEBI:50996)
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