S-Phenylmercapturic Acid

S-Phenylmercapturic acid (S-PMA) is a metabolite of benzene used as a biomarker for benzene exposure in humans. In industrial workers, urinary concentrations of up to 543 µg/g creatinine have been detected. In a study of benzene exposure through tobacco smoke inhalation in humans, smokers had a urinary concentration of 9.1 µg S-PMA/g creatinine compared with 4.8 µg S-PMA/g creatinine in non-smokers.Formal Name: N-acetyl-S-phenyl-L-cysteine. CAS Number: 4775-80-8. Synonyms: NSC 17197, S-PMA. Molecular Formula: C11H13NO3S. Formula Weight: 239.3. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 30 mg/ml, DMSO:PBS (pH 7.2) (1:7): 0.12 mg/ml, Ethanol: 5 mg/ml. lambdamax: 254 nm. SMILES: OC([C@@H](NC(C)=O)CSC1=CC=CC=C1)=O. InChi Code: InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1. InChi Key: CICOZWHZVMOPJS-JTQLQIEISA-N.