CHEBI:104231 - 1-[2-[(4-methylphenyl)thio]ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

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ChEBI Name 1-[2-[(4-methylphenyl)thio]ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
ChEBI ID CHEBI:104231
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H32N2O3S
Net Charge 0
Average Mass 416.579
Monoisotopic Mass 416.21336
InChI InChI=1S/C23H32N2O3S/c1-18-5-8-20(9-6-18)29-16-15-24-11-13-25(14-12-24)17-19-7-10-21(26-2)23(28-4)22(19)27-3/h5-10H,11-17H2,1-4H3
InChIKey MAXODDXKVCZCAU-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)SCCN2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 1-[2-[(4-methylphenyl)thio]ethyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine (CHEBI:104231) is a aromatic amine (CHEBI:33860)
Manual Xref Database
LSM-15595 LINCS
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