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CHEBI:231426 - (R)-tolvaptan

ChEBI IDCHEBI:231426
ChEBI Name(R)-tolvaptan
Stars
ASCII Name(R)-tolvaptan
DefinitionThe (R)-enantiomer of tolvaptan.
Last Modified15 May 2024
SubmitterAdnan
DownloadsMolfile
FormulaC26H25ClN2O3
Net Charge0
Average Mass448.950
Monoisotopic Mass448.15537
SMILESCc1ccccc1C(=O)Nc1ccc(C(=O)N2CCC[C@@H](O)c3cc(Cl)ccc32)c(C)c1
InChIInChI=1S/C26H25ClN2O3/c1-16-6-3-4-7-20(16)25(31)28-19-10-11-21(17(2)14-19)26(32)29-13-5-8-24(30)22-15-18(27)9-12-23(22)29/h3-4,6-7,9-12,14-15,24,30H,5,8,13H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyGYHCTFXIZSNGJT-XMMPIXPASA-N
ChEBI Ontology
Outgoing Relation(s)
(R)-tolvaptan (CHEBI:231426) is a N-{4-[(7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl)carbonyl]-3-methylphenyl}-2-methylbenzamide (CHEBI:231425)
(R)-tolvaptan (CHEBI:231426) is enantiomer of (S)-tolvaptan (CHEBI:231424)
Incoming Relation(s)
tolvaptan (CHEBI:32246) has part (R)-tolvaptan (CHEBI:231426)
(S)-tolvaptan (CHEBI:231424) is enantiomer of (R)-tolvaptan (CHEBI:231426)
IUPAC Name 
N-(4-{[(5R)-7-chloro-5-hydroxy-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl]carbonyl}-3-methylphenyl)-2-methylbenzamide
Synonyms  Source
(5R)-tolvaptanChEBI
(+)-tolvaptanChEBI
(R)-(+)-tolvaptanChEBI
(R)-(+)-OPC 41061ChEBI
(R)-OPC 41061ChEBI
Registry NumbersSources
CAS:331947-66-1ChEBI
Citations