CHEBI:113699 - (2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

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ChEBI Name (2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
ChEBI ID CHEBI:113699
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H31N3O3
Net Charge 0
Average Mass 349.468
Monoisotopic Mass 349.23654
InChI InChI=1S/C19H31N3O3/c1-13-11-22(14(2)12-23)19(24)9-15-8-16(21(4)5)6-7-17(15)25-18(13)10-20-3/h6-8,13-14,18,20,23H,9-12H2,1-5H3/t13-,14-,18-/m0/s1
InChIKey WYKJOBISBUCKND-DEYYWGMASA-N
SMILES C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@H]1CNC)[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)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:113699) is a dialkylarylamine (CHEBI:23665)
(2R,3S)-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:113699) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-25131 LINCS
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