(S)-Bupropion
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(S)-Bupropion
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CAS No:
324548-43-8
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Formula:
C13H18ClNO
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Chemical Name:
(S)-Bupropion
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Synonyms:
1-Propanone,1-(3-chlorophenyl)-2-[(1,1-dimethylethyl)amino]-,(2S)-;(2S)-1-(3-Chlorophenyl)-2-[(1,1-dimethylethyl)amino]-1-propanone;(S)-Bupropion;(2S)-2-(tert-Butylamino)-1-(3-chlorophenyl)propan-1-one
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CAS No:
Drug Information
(s)-bupropion has known human metabolites that include (2S)-1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one, (2S)-2-(tert-butylamino)-1-(3-chloro-4-hydroxyphenyl)propan-1-one, (2S)-2-(tert-butylamino)-1-(3-chloro-5-hydroxyphenyl)propan-1-one, and (2S)-2-(tert-butylamino)-1-(3-chlorophenyl)-3-hydroxypropan-1-one.
Computed Properties
Molecular Weight:239.74
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:239.1076919
Monoisotopic Mass:239.1076919
Topological Polar Surface Area:29.1
Heavy Atom Count:16
Complexity:247
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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