CHEBI:108853 - (2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
ChEBI ID CHEBI:108853
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H37N3O3
Net Charge 0
Average Mass 403.559
Monoisotopic Mass 403.28349
InChI InChI=1S/C23H37N3O3/c1-16-12-26(17(2)15-27)23(28)11-19-10-20(24(3)4)8-9-21(19)29-22(16)14-25(5)13-18-6-7-18/h8-10,16-18,22,27H,6-7,11-15H2,1-5H3/t16-,17-,22-/m0/s1
InChIKey DVEIBRZUURAMSY-HOIFWPIMSA-N
SMILES C[C@H]1CN(C(=O)CC2=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108853) is a dialkylarylamine (CHEBI:23665)
(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-9-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one (CHEBI:108853) is a tertiary amino compound (CHEBI:50996)
Manual Xref Database
LSM-20252 LINCS
View more database links