CHEBI:112668 - N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

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ChEBI Name N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
ChEBI ID CHEBI:112668
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H19BrN2O2S
Net Charge 0
Average Mass 407.326
Monoisotopic Mass 406.03506
InChI InChI=1S/C18H19BrN2O2S/c1-21-7-8-24-17-6-3-12(10-15(17)21)18(22)20-11-13-9-14(19)4-5-16(13)23-2/h3-6,9-10H,7-8,11H2,1-2H3,(H,20,22)
InChIKey LUDFMDONZJCSHW-UHFFFAOYSA-N
SMILES CN1CCSC2=C1C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)OC
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via benzothiazine )
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ChEBI Ontology
Outgoing N-[(5-bromo-2-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CHEBI:112668) is a benzothiazine (CHEBI:46899)
Manual Xref Database
LSM-24078 LINCS
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