Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCCCC(=O)C1=CC=CN=C1
InChI
InChIKey=KTXUGZHJVRHQGP-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.1891 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Effects of benzyl isothiocyanate and phenethyl isothiocyanate on DNA adduct formation by a mixture of benzo[a]pyrene and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in A/J mouse lung. | 2002 Sep |
|
| The pyridyloxobutyl DNA adduct, O6-[4-oxo-4-(3-pyridyl)butyl]guanine, is detected in tissues from 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone-treated A/J mice. | 2003 Jan |
|
| Effects of benzyl isothiocyanate and 2-phenethyl isothiocyanate on benzo[a]pyrene and 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone metabolism in F-344 rats. | 2003 Mar |
|
| Nucleophilic reactions between thiols and a tobacco specific nitrosamine metabolite, 4-hydroxy-1-(3-pyridyl)-1-butanone. | 2003 May |
|
| Identification of adducts formed by pyridyloxobutylation of deoxyguanosine and DNA by 4-(acetoxymethylnitrosamino)-1-(3-pyridyl)-1-butanone, a chemically activated form of tobacco specific carcinogens. | 2003 May |
|
| 4-Hydroxy-1-(3-pyridyl)-1-butanone, an indicator for 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone-induced DNA damage, is not detected in human pancreatic tissue. | 2005 Feb |
|
| Mass spectrometric analysis of relative levels of pyridyloxobutylation adducts formed in the reaction of DNA with a chemically activated form of the tobacco-specific carcinogen 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone. | 2005 Jun |
|
| Metabolism of myosmine in Wistar rats. | 2005 Nov |
|
| Reaction of the tobacco alkaloid myosmine with hydrogen peroxide. | 2006 Jan |
|
| Human cyt P450 mediated metabolic toxicity of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) evaluated using electrochemiluminescent arrays. | 2009 Feb |
|
| Ultrasensitive method for the determination of 4-hydroxy-1-(3-pyridyl)-1-butanone-releasing DNA adducts by gas chromatography-high resolution mass spectrometry in mucosal biopsies of the lower esophagus. | 2009 Mar |
|
| Formation and repair of tobacco carcinogen-derived bulky DNA adducts. | 2010 Dec 20 |
|
| Formation, repair, and genotoxic properties of bulky DNA adducts formed from tobacco-specific nitrosamines. | 2010 Sep 5 |
Patents
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:36:06 GMT 2023
by
admin
on
Fri Dec 15 19:36:06 GMT 2023
|
| Record UNII |
Z79CGY64XC
|
| Record Status |
Validated (UNII)
|
| Record Version |
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| Code System | Code | Type | Description | ||
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C074143
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107819
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Z79CGY64XC
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DTXSID40208240
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59578-62-0
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C192185
Created by
admin on Fri Dec 15 19:36:06 GMT 2023 , Edited by admin on Fri Dec 15 19:36:06 GMT 2023
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|---|---|---|---|---|
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