N-acetyl-S-(3-hydroxypropyl)-L-Cysteine-d6 (dicyclohexylamine salt)

N-acetyl-S-(3-hydroxypropyl)-L-Cysteine-d6 is intended for use as an internal standard for the quantification of N-acetyl-S-(3-hydroxypropyl)-L-cysteine by GC- or LC-MS. N-acetyl-S-(3-hydroxypropyl)-L-Cysteine is a metabolite of acrolein, a respiratory irritant formed during combustion and found in tobacco smoke, that is produced via reduction of the aldehyde group of S-(3-oxopropyl)-N-acetyl cysteine. N-acetyl-S-(3-hydroxypropyl)-L-Cysteine can be detected in urine as a biomarker of acrolein exposure.Formal Name: N-acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-d6)-L-cysteine, dicyclohexylamine salt. Synonyms: 3-HPMA-d6, 3-Hydroxypropyl Mercapturic Acid-d6. Molecular Formula: C8H9D6NO4S . C12H23N. Formula Weight: 408.6. Purity: >99% deuterated forms (d1-d6). Formulation: (Request formulation change), A solid. Solubility: DMSO: slightly soluble, Methanol: slightly soluble, Water: slightly soluble. SMILES: OC([2H])([2H])C([2H])([2H])C([2H])([2H])SC[C@H](NC(C)=O)C(O)=O.C1(NC2CCCCC2)CCCCC1. InChi Code: InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12,1-6(11)9-7(8(12)13)5-14-4-2-3-10/h11-13H,1-10H2,7,10H,2-5H2,1H3,(H,9,11)(H,12,13)/t,7-/m.0/s1/i,2D2,3D2,4D2. InChi Key: IAJLPGZWRSPJLM-ADTUXPRVSA-N.