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CHEBI:157598 - taltirelin tetrahydrate

ChEBI IDCHEBI:157598
ChEBI Nametaltirelin tetrahydrate
Stars
DefinitionA hydrate that is the tetrahydrate form of taltirelin. It activates neuronal cells by promoting the release and turnover of neurotransmitters (acetylcholine, dopamine) and its nerve growth factor-like action. The drug is approved in Japan and used to treat ataxia (daily activities such as gait, eating, and conversation) in patients suffering from spinocerebellar degeneration.
Secondary ChEBI IDCHEBI:32180
Last Modified6 April 2021
SubmitterAdnan
DownloadsMolfile
FormulaC17H23N7O5.4H2O
Net Charge0
Average Mass477.475
Monoisotopic Mass477.21833
SMILESCN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cncn2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O.O.O.O.O
InChIInChI=1S/C17H23N7O5.4H2O/c1-23-13(25)6-10(22-17(23)29)15(27)21-11(5-9-7-19-8-20-9)16(28)24-4-2-3-12(24)14(18)26;;;;/h7-8,10-12H,2-6H2,1H3,(H2,18,26)(H,19,20)(H,21,27)(H,22,29);4*1H2/t10-,11-,12-;;;;/m0..../s1
InChIKeyHRCJDWMUKPHPHR-NTFWNTCYSA-N
Roles Classification
Application:
central nervous system drug  A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
taltirelin tetrahydrate (CHEBI:157598) has part taltirelin (CHEBI:135653)
taltirelin tetrahydrate (CHEBI:157598) has role central nervous system drug (CHEBI:35470)
taltirelin tetrahydrate (CHEBI:157598) is a hydrate (CHEBI:35505)
IUPAC Name 
N-{[(4S)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-L-histidyl-L-prolinamide—water (1/4)
Synonyms  Source
taltirelin hydrateChemIDplus
N-{[(4S)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-L-histidyl-L-prolinamide tetrahydrateIUPAC
(−)-N-[(S)-hexahydro-1-methyl- 2,6-dioxo-4-pyrimidinyl-carbonyl]-L-histidyl-L-prolinamide tetrahydrateChEBI
Brand Name  Source
CeredistKEGG DRUG
Manual XrefsDatabases
C13402KEGG COMPOUND
D01925KEGG DRUG
Registry NumbersSources
CAS:201677-75-0ChemIDplus
Citations