CHEBI:113730 - (2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one

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ChEBI Name (2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
ChEBI ID CHEBI:113730
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/c1-13-10-22(14(2)12-23)19(24)16-9-15(21(5)6)7-8-17(16)25-18(13)11-20(3)4/h7-9,13-14,18,23H,10-12H2,1-6H3/t13-,14-,18+/m1/s1
InChIKey WTLSFXRNHZPOMH-LBTNJELSSA-N
SMILES C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)N(C)C)O[C@H]1CN(C)C)[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,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113730) is a dialkylarylamine (CHEBI:23665)
(2R,3R)-8-(dimethylamino)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one (CHEBI:113730) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-25162 LINCS
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