CHEBI:188848 - donetidine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name donetidine
ChEBI ID CHEBI:188848
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H25N5O3S
Net Charge 0
Average Mass 415.510
Monoisotopic Mass 415.16781
InChI InChI=1S/C20H25N5O3S/c1-25(2)12-16-3-4-17(28-16)13-29-8-7-22-20-23-11-15(19(27)24-20)9-14-5-6-21-18(26)10-14/h3-6,10-11H,7-9,12-13H2,1-2H3,(H,21,26)(H2,22,23,24,27)
InChIKey MURUHMTVTKOWBY-UHFFFAOYSA-N
SMILES S(CC=1OC(CN(C)C)=CC1)CCNC=2NC(=O)C(CC3=CC(=O)NC=C3)=CN2
Metabolite of Species Details
Phyllostachys violascens (NCBI:txid1903417) Found in stem (BTO:0001300). of strain Phyllostachys violascens cv. Viridisulcata See: MetaboLights Study
ChEBI Ontology
Outgoing donetidine (CHEBI:188848) is a pyrimidone (CHEBI:38337)
IUPAC Name
2-[2-[[5-[(dimethylamino)methyl]uran-2-yl]methylsulanyl]ethylamino]-5-[(2-oxo-1H-pyridin-4-yl)methyl]-1H-pyrimidin-6-one
Manual Xrefs Databases
5293179 ChemSpider
D03889 KEGG DRUG
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Registry Number Type Source
99248-32-5 CAS Registry Number ChemIDplus
Last Modified
23 January 2023