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CHEBI:91639 - suloctidil

ChEBI IDCHEBI:91639
ChEBI Namesuloctidil
Stars
DefinitionAn aryl sulfide that is benzene substituted by 1-hydroxy-2-(octylamino)propyl and propan-2-ylsulfanediyl groups at positions 1 and 4, respectively.
Last Modified5 February 2025
DownloadsMolfile
FormulaC20H35NOS
Net Charge0
Average Mass337.573
Monoisotopic Mass337.24394
SMILESCCCCCCCCNC(C)C(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
InChIKeyBFCDFTHTSVTWOG-UHFFFAOYSA-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)
suloctidil (CHEBI:91639) is a amino alcohol (CHEBI:22478)
suloctidil (CHEBI:91639) is a aryl sulfide (CHEBI:35683)
suloctidil (CHEBI:91639) is a benzenes (CHEBI:22712)
suloctidil (CHEBI:91639) is a secondary alcohol (CHEBI:35681)
suloctidil (CHEBI:91639) is a secondary amino compound (CHEBI:50995)
Incoming Relation(s)
(1R,2S)-suloctidil (CHEBI:233451) is a suloctidil (CHEBI:91639)
(1S,2R)-suloctidil (CHEBI:233450) is a suloctidil (CHEBI:91639)
IUPAC Name 
2-(octylamino)-1-[4-(propan-2-ylsulfanyl)phenyl]propan-1-ol
Synonyms  Source
2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propan-1-olChEBI
1-(4-isopropylthiophenyl)-2-n-octylaminopropanolChEBI
4-[(1-methylethyl)thio]-α-[1-(octylamino)ethyl]benzenemethanolChEBI
2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]-1-propanolChEBI
suloctidil (unspecified isomer)ChEBI
1-(4-isopropylthiophenyl)-2-octylaminopropanolChEBI
Registry NumbersSources
CAS:54063-56-8NIST Chemistry WebBook