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82793-84-8 | 1-Propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-, (+-)-
CAS No: 82793-84-8 Catalog No: AG004TF6 MDL No:
Product Description
Catalog Number:
AG004TF6
Chemical Name:
1-Propanone, 1-(3-chlorophenyl)-2-((2-hydroxy-1,1-dimethylethyl)amino)-, (+-)-
CAS Number:
82793-84-8
Molecular Formula:
C13H18ClNO2
Molecular Weight:
255.7405
IUPAC Name:
1-(3-chlorophenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]propan-1-one
InChI:
InChI=1S/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
InChI Key:
AKOAEVOSDHIVFX-UHFFFAOYSA-N
SMILES:
OCC(NC(C(=O)c1cccc(c1)Cl)C)(C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.742g/mol
Monoisotopic Mass:
255.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Inhibitory effect of α-terpinyl acetate on cytochrome P450 2B6 enzymatic activity. | Chemico-biological interactions 20180601 |
| Effects of dextran sulfate sodium induced experimental colitis on cytochrome P450 activities in rat liver, kidney and intestine. | Chemico-biological interactions 20170601 |
| In vivo effect of borneol on rat hepatic CYP2B expression and activity. | Chemico-biological interactions 20170105 |
| Histone deacetylase inhibitor valproic acid promotes the differentiation of human induced pluripotent stem cells into hepatocyte-like cells. | PloS one 20140101 |
| Interactions of sesquiterpenes zederone and germacrone with the human cytochrome P450 system. | Toxicology in vitro : an international journal published in association with BIBRA 20130901 |
| Direct and metabolism-dependent cytochrome P450 inhibition assays for evaluating drug-drug interactions. | Journal of applied toxicology : JAT 20130201 |
| Bupropion and its main metabolite reverse nicotine chronic tolerance in the mouse. | Nicotine & tobacco research : official journal of the Society for Research on Nicotine and Tobacco 20121101 |
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