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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(2S)-1-(4-Chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)-3-pentanol

ChEBI ID	CHEBI:182519

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H20ClN3O

Net Charge

Average Mass

293.800

Monoisotopic Mass

293.12949

InChI

InChI=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

InChIKey

RMOGWMIKYWRTKW-LSLKUGRBSA-N

SMILES

ClC1=CC=C(C[C@H](N2N=CN=C2)C(O)C(C)(C)C)C=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Application(s):	central nervous system stimulant Any drug that enhances the activity of the central nervous system. (via amphetamines )

ChEBI Ontology
Outgoing	(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