1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone
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![1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/887a9093bcbe4a0c9183e5ab344967e3.png "1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone")
1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone
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CAS No:
92264-81-8
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Formula:
C13H18ClNO2
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Chemical Name:
1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone
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Synonyms:
1-Propanone,1-(3-chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-;1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone;82793-84-8
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CAS No:
Description
Hydroxybupropion is the major active metabolite of Bupropion. Hydroxybupropion is metabolized by CYP2B6.Bupropion is an atypical antidepressant and smoking-cessation agent. Hydroxybupropion inhibits norepinephrine uptake with an IC50 value of 1.7 μM. Hydroxybupropion is also a nACh receptor antagonis tis more potent than Bupropion[1] .
Solid
Hydroxybupropion is an aromatic ketone.
1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone Basic Attributes
255.74
255.74
200-835-2
2922509090
Safety Information
UN 1648 3 / PGII
2
11-20/21/22-36
16-36/37
F,Xn
P210-P261-P302 + P352 + P312-P304 + P340 + P312-P337 + P313-P403 + P235
H225-H302 + H312 + H332-H319
1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone Use and Manufacturing
A metabolite of Bupropion, an antidepressant.The compound exists mainly as cyclic acetal (2-hydroxy-2-(3?chlorophenyl)-355-trimethylmorpholine).See US Pat. # 6342496
Computed Properties
Molecular Weight:255.74
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:255.1026065
Monoisotopic Mass:255.1026065
Topological Polar Surface Area:49.3
Heavy Atom Count:17
Complexity:268
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(3-Chlorophenyl)-2-[(2-hydroxy-1,1-dimethylethyl)amino]-1-propanone
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