CHEBI:157598 - taltirelin tetrahydrate

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ChEBI Name taltirelin tetrahydrate
ChEBI ID CHEBI:157598
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:32180
Supplier Information
Download Molfile XML SDF
Formulae C17H23N7O5.4H2O
C17H23N7O5.H2O.H2O.H2O.H2O
Net Charge 0
Average Mass 477.475
Monoisotopic Mass 477.21833
InChI InChI=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
InChIKey HRCJDWMUKPHPHR-NTFWNTCYSA-N
SMILES O.O.O.O.CN1C(=O)C[C@H](NC1=O)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(N)=O
Roles Classification
Application(s): central nervous system drug
A class of drugs producing both physiological and psychological effects through a variety of mechanisms involving the central nervous system.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(−)-N-[(S)-hexahydro-1-methyl- 2,6-dioxo-4-pyrimidinyl-carbonyl]-L-histidyl-L-prolinamide tetrahydrate ChEBI
N-{[(4S)-1-methyl-2,6-dioxohexahydropyrimidin-4-yl]carbonyl}-L-histidyl-L-prolinamide tetrahydrate IUPAC
taltirelin hydrate ChemIDplus
Brand Name Source
Ceredist KEGG DRUG
Manual Xrefs Databases
C13402 KEGG COMPOUND
D01925 KEGG DRUG
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Registry Number Type Source
201677-75-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12884823 PubMed citation Europe PMC
16368129 PubMed citation Europe PMC
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9430097 PubMed citation Europe PMC
9430098 PubMed citation Europe PMC
9430099 PubMed citation Europe PMC
9608876 PubMed citation Europe PMC
Last Modified
06 April 2021