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CHEBI:180901 - Ro 25-6981 maleate

ChEBI IDCHEBI:180901
ChEBI NameRo 25-6981 maleate
Stars
DefinitionThe maleic acid salt of Ro 25-6981. It is a potent and selective antagonist of GluN2B-containing NMDA receptors.
Last Modified4 November 2021
Submitterslaulederkind
DownloadsMolfile
FormulaC22H29NO2.C4H4O4
Net Charge0
Average Mass455.551
Monoisotopic Mass455.23079
SMILESC[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C22H29NO2.C4H4O4/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-10,17,19,22,24-25H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/m0./s1
InChIKeyFYJZEHCQSUBZDY-SEELMCCHSA-N
Roles Classification
Biological Role:
NMDA receptor antagonist  Any substance that inhibits the action of N-methyl-D-aspartate (NMDA) receptors. They tend to induce a state known as dissociative anesthesia, marked by catalepsy, amnesia, and analgesia, while side effects can include hallucinations, nightmares, and confusion. Due to their psychotomimetic effects, many NMDA receptor antagonists are used as recreational drugs.
Applications:
neuroprotective agent  Any compound that can be used for the treatment of neurodegenerative disorders.
antidepressant  Antidepressants are mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions.
anticonvulsant  A drug used to prevent seizures or reduce their severity.
ChEBI Ontology
Outgoing Relation(s)
Ro 25-6981 maleate (CHEBI:180901) has part Ro 25-6981(1+) (CHEBI:183314)
Ro 25-6981 maleate (CHEBI:180901) has role anticonvulsant (CHEBI:35623)
Ro 25-6981 maleate (CHEBI:180901) has role antidepressant (CHEBI:35469)
Ro 25-6981 maleate (CHEBI:180901) has role neuroprotective agent (CHEBI:63726)
Ro 25-6981 maleate (CHEBI:180901) has role NMDA receptor antagonist (CHEBI:60643)
Ro 25-6981 maleate (CHEBI:180901) is a maleate salt (CHEBI:50221)
IUPAC Name 
4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol (2Z)-but-2-enedioate
Synonyms  Source
Ro 25-6981 (maleate)ChEBI
αR-(4-hydroxyphenyl)-βS-methyl-4-(phenylmethyl)-1-piperidinepropanol, 2Z-butenedioateChEBI
(αR,βS)-α-(4-hydroxyphenyl)-β-methyl-4-(phenylmethyl)-1-piperidinepropanol maleateChEBI
4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol maleateChEBI
Manual XrefsDatabases
21475062ChemSpider
Registry NumbersSources
CAS:1312991-76-6ChEBI
Citations