CHEBI:182519 - (2S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanol

ChEBI IDCHEBI:182519
ChEBI Name(2S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanol
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SubmitterMetaboLights
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FormulaC15H20ClN3O
Net Charge0
Average Mass293.798
Monoisotopic Mass293.12949
SMILESCC(C)(C)C(O)[C@H](Cc1ccc(Cl)cc1)n1cncn1
InChIInChI=1S/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3/t13-,14?/m0/s1
InChIKeyRMOGWMIKYWRTKW-LSLKUGRBSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
central nervous system stimulant  Any drug that enhances the activity of the central nervous system.
ChEBI Ontology
Outgoing Relation(s)
(2S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanol (CHEBI:182519) is a amphetamines (CHEBI:35338)
IUPAC Name 
(2S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
Manual XrefsDatabases
30791366ChemSpider
C18479KEGG COMPOUND