Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.317 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(O)=O
InChI
InChIKey=BJUXDERNWYKSIQ-NSHDSACASA-N
InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m0/s1
| Molecular Formula | C12H15NO3S |
| Molecular Weight | 253.317 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| Determination of monobromobimane derivatives of phenylmercapturic and benzylmercapturic acids in urine by high-performance liquid chromatography and fluorimetry. | 2001 Feb 25 |
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| Initial intraorgan formation of mercapturic acid. | 2001 Nov |
|
| Delocalized electronic structure of the thiol sulfur substantially prevents nucleic acid damage induced by neocarzinostatin. | 2002 Jan 22 |
|
| Passive smoking, excretion of metabolites, and health effects: results of the Leipzig's Allergy Risk Study (LARS). | 2002 Jul-Aug |
|
| Urinary benzylmercapturic acid as a marker of occupational exposure to toluene. | 2002 Jun |
|
| Simple method of methylation for gas chromatographic analysis of S-benzyl-N-acetylcysteine, a metabolite of toluene, in human urine. | 2002 May-Jun |
|
| Simultaneous determination of metabolites of trimethylbenzenes, dimethylbenzylmercapturicacid and dimethylhippuric acid, in human urine by solid-phase extraction followed by liquid chromatography tandem mass spectrometry. | 2002 Nov |
|
| Simultaneous determination of t,t-muconic, S-phenylmercapturic and S-benzylmercapturic acids in urine by a rapid and sensitive liquid chromatography/electrospray tandem mass spectrometry method. | 2004 |
|
| Benzylmercapturic acid is superior to hippuric acid and o-cresol as a urinary marker of occupational exposure to toluene. | 2004 Mar 1 |
|
| Bio-effect monitoring using a [(15)N]methacetin test as diagnostic tool to monitor remediation effects in an industrially polluted region. | 2006 Apr 10 |
|
| Measurement of benzylmercapturic acid in human urine by liquid chromatography-electrospray ionization-tandem quadrupole mass spectrometry. | 2006 Jun |
|
| [Biological monitoring of exposure to benzene, toluene and xylenes in urban traffic wardens by LC-MS analysis]. | 2007 Jul-Sep |
|
| Comparative evaluation of biomarkers of occupational exposure to toluene. | 2007 Oct |
|
| Limited validity of o-cresol and benzylmercapturic acid in urine as biomarkers of occupational exposure to toluene at low levels. | 2008 Aug |
|
| Validation of an HPLC-MS/MS method for the simultaneous determination of phenylmercapturic acid, benzylmercapturic acid and o-methylbenzyl mercapturic acid in urine as biomarkers of exposure to benzene, toluene and xylenes. | 2008 Feb 15 |
|
| Toluene-induced hearing loss in phenobarbital treated rats. | 2008 Jan-Feb |
|
| Changes in correlation coefficients of exposure markers as a function of intensity of occupational exposure to toluene. | 2008 Jul 10 |
|
| Fast determination of urinary S-phenylmercapturic acid (S-PMA) and S-benzylmercapturic acid (S-BMA) by column-switching liquid chromatography-tandem mass spectrometry. | 2008 Mar 1 |
|
| Toluene-induced hearing loss in acivicin-treated rats. | 2008 May-Jun |
|
| Validity of new biomarkers of internal dose for use in the biological monitoring of occupational and environmental exposure to low concentrations of benzene and toluene. | 2010 Mar |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:59:52 GMT 2023
by
admin
on
Fri Dec 15 18:59:52 GMT 2023
|
| Record UNII |
X3H719RFPT
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Name | Type | Language | ||
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| Code System | Code | Type | Description | ||
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19542-77-9
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BENZYLMERCAPTURIC ACID
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DTXSID90894753
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X3H719RFPT
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107816
Created by
admin on Fri Dec 15 18:59:52 GMT 2023 , Edited by admin on Fri Dec 15 18:59:52 GMT 2023
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