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CHEBI:124850 - N-[[(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide

ChEBI IDCHEBI:124850
ChEBI NameN-[[(2R,3S)-8-(dimethylamino)-5-[(2R)-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](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)Oc2ccc(N(C)C)cc2C1=O
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-/m0/s1
InChIKeyCETUQOSYEZIMNW-YRNRMSPPSA-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-[[(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:124850) is a dialkylarylamine (CHEBI:23665)
N-[[(2R,3S)-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methyl-2-thiophenesulfonamide (CHEBI:124850) is a tertiary amino compound (CHEBI:50996)
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