CHEBI:113664 - (2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one

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ChEBI Name (2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one
ChEBI ID CHEBI:113664
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H34N4O3
Net Charge 0
Average Mass 426.553
Monoisotopic Mass 426.26309
InChI InChI=1S/C24H34N4O3/c1-17-13-28(18(2)16-29)24(30)21-12-20(26(3)4)6-7-22(21)31-23(17)15-27(5)14-19-8-10-25-11-9-19/h6-12,17-18,23,29H,13-16H2,1-5H3/t17-,18+,23-/m1/s1
InChIKey VHHIAINGBKGYCV-IEGUWTFLSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=NC=C3)[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 (2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113664) is a dialkylarylamine (CHEBI:23665)
(2S,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113664) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-25096 LINCS
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