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CHEBI:233450 - (1S,2R)-suloctidil

ChEBI IDCHEBI:233450
ChEBI Name(1S,2R)-suloctidil
Stars
ASCII Name(1S,2R)-suloctidil
DefinitionA suloctidil that has (1S,2R)-configuration.
Secondary ChEBI IDCHEBI:92751
Last Modified5 February 2025
SubmitterAdnan
DownloadsMolfile
FormulaC20H35NOS
Net Charge0
Average Mass337.573
Monoisotopic Mass337.24394
SMILESCCCCCCCCN[C@H](C)[C@@H](O)c1ccc(SC(C)C)cc1
InChIInChI=1S/C20H35NOS/c1-5-6-7-8-9-10-15-21-17(4)20(22)18-11-13-19(14-12-18)23-16(2)3/h11-14,16-17,20-22H,5-10,15H2,1-4H3/t17-,20-/m1/s1
InChIKeyBFCDFTHTSVTWOG-YLJYHZDGSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(1S,2R)-suloctidil (CHEBI:233450) is a suloctidil (CHEBI:91639)
Incoming Relation(s)
(±)-suloctidil (CHEBI:233445) has part (1S,2R)-suloctidil (CHEBI:233450)
IUPAC Name 
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylsulfanyl)phenyl]propan-1-ol
Synonyms  Source
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]propan-1-olIUPAC
(1S,2R)-2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolChEBI
Manual XrefsDatabases
LSM-2946LINCS