Benzylmercapturic acid

Benzylmercapturic acid
Names

IUPAC name (2R)-2-Acetamido-3-(phenylmethylsulfanyl)propanoic acid
Other names S-Benzyl-N-acetyl-L-cysteine S-Benzylmercapturic acid
Identifiers
CAS Number	19542-77-9^Y
Abbreviations	SBNAC
ChemSpider	96963^N
Jmol interactive 3D	Image
PubChem	107816
InChI 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^Y Key: BJUXDERNWYKSIQ-NSHDSACASA-N^Y InChI=1/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 Key: BJUXDERNWYKSIQ-NSHDSACABF
SMILES CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O
Properties
Chemical formula	C₁₂H₁₅NO₃S
Molar mass	253.32 g/mol
Melting point	163 °C (325 °F; 436 K)
Boiling point	462 °C (864 °F; 735 K)
Solubility in water	very soluble
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
N verify (what is ^YN ?)
Infobox references

Benzylmercapturic acid is a minor metabolite of toluene in humans. It is used in the diagnosis of toluene exposure. As its name indicates, is a benzyl derivative of mercapturic acid (acetylcysteine).

This article is issued from Wikipedia - version of the Tuesday, July 07, 2015. The text is available under the Creative Commons Attribution/Share Alike but additional terms may apply for the media files.