General Information of the Compound
| Compound ID |
CP0000055
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| Compound Name |
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
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| Synonyms |
Amfebutamon
(+-)-1-(3-chlorophenyl)-2-((1,1-dimethylethyl)amino)-1-propanone
(+-)-Bupropion
(-)-2-(tert-Butylamino)-3'-chloropropiophenone
(-)-2-(tert-Butylamino)-3'-chlorpropiophenon
1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]propan-1-one
1-Propanone
2-(Tert-Butylamino)-3'-chloropropiophenone
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-one
34841-39-9
34911-55-2
AMFEBUTAMONE HCl
Alpha-(tert-Butylamino)-m-chloropropiophenone
Alpha-(tert-butylamino)-m-chloropropiophenone
Amfebutamon
Amfebutamona
Amfebutamona [INN-Spanish]
Amfebutamone
Amfebutamonum
Amfebutamonum [INN-Latin]
BRN 2101062
Bupropion
Bupropion (INN)
Bupropion (Old RN)
Bupropion (USAN)
Bupropion Hcl
Bupropion SR
Bupropion [INN:BAN]
Bupropion hydrocloride
CHEBI:3219
CHEMBL894
Elont
Elontril
SNPPWIUOZRMYNY-UHFFFAOYSA-N
Wellbatrin
Zyban
alpha-(tert-butylamino)-m-chloropropiophenone
amfebutamonum
bupropion
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| Structure |
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| Formula |
C13H18ClNO
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| Molecular Weight |
239.746
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| Canonical SMILES |
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
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| InChIKey |
SNPPWIUOZRMYNY-UHFFFAOYSA-N
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| CAS |
34911-55-2
34841-39-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00884, Sodium-dependent dopamine transporter
Cell-based Assay
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter
Clinical Information about the Compound