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CHEBI:108682 - (2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

ChEBI IDCHEBI:108682
ChEBI Name(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
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DownloadsMolfile
FormulaC25H41N3O3
Net Charge0
Average Mass431.621
Monoisotopic Mass431.31479
SMILESC[C@H](CO)N1C[C@H](C)[C@@H](CN(C)CC2CCCCC2)Oc2ccc(N(C)C)cc2C1=O
InChIInChI=1S/C25H41N3O3/c1-18-14-28(19(2)17-29)25(30)22-13-21(26(3)4)11-12-23(22)31-24(18)16-27(5)15-20-9-7-6-8-10-20/h11-13,18-20,24,29H,6-10,14-17H2,1-5H3/t18-,19+,24+/m0/s1
InChIKeyISZUZFSFVMPJQK-XLNZFTOWSA-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)
(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:108682) is a dialkylarylamine (CHEBI:23665)
(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-8-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:108682) is a tertiary amino compound (CHEBI:50996)
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