CHEBI:108702 - (2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

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ChEBI Name (2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
ChEBI ID CHEBI:108702
Stars This entity has been manually annotated by a third party.
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Formula C22H35N3O3
Net Charge 0
Average Mass 389.532
Monoisotopic Mass 389.26784
InChI InChI=1S/C22H35N3O3/c1-15-11-25(16(2)14-26)22(27)18-7-6-8-19(23(3)4)21(18)28-20(15)13-24(5)12-17-9-10-17/h6-8,15-17,20,26H,9-14H2,1-5H3/t15-,16+,20-/m0/s1
InChIKey NQBYIEPUWCEMNR-YRNRMSPPSA-N
SMILES C[C@H]1CN(C(=O)C2=C(C(=CC=C2)N(C)C)O[C@H]1CN(C)CC3CC3)[C@H](C)CO
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:108702) is a dialkylarylamine (CHEBI:23665)
(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:108702) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
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