N-Acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-D6)cysteine, Dicyclohexylammonium Salt

CAS: 1356934-09-2 14369-42-7

Ref. TR-A179072

Product Information

• Name: N-Acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-D6)cysteine, Dicyclohexylammonium Salt
• Synonyms: N-Acetyl-S-(3-hydroxypropyl-d6)-L-cysteine Dicyclohexylamine Salt, N-Acetyl-S-(3-hydroxypropyl)-L-cysteine-D6 Dicyclohexylammonium Salt (hydroxypropyl-1,1,2,2,3,3-D6), N-Acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-d6)-L-cysteine dicyclohexylammonium salt, N-Acetyl-S-(3-hydroxypropyl)-L-cysteine-D6 dicyclohexylammonium salt (hydroxypropyl-1,1,2,2,3,3-D6), 3-(N-Acetyl-L-cystein-S-yl)-1,1,2,2,3,3-hexadeuteriopropan-1-ol dicycohexylamine, S-(3-Hydroxypropyl-1,1,2,2,3,3-d6)mercapturic acid dicyclohexylammonium salt, S-(3-Hydroxypropyl)mercapturic Acid-D6, HPMA-D6

Description

Applications N-Acetyl-S-(3-hydroxypropyl-1,1,2,2,3,3-D6)cysteine Dicyclohexylammonium Salt is labelled N-Acetyl-S-(3-hydroxypropyl)cysteine Dicyclohexylammonium Salt (A179075), which is a metabolite of halopropanes.
References Barnsley, E.A.: Biochem. J., 100, 362 (1966)

• Brand: TRC

Chemical properties

• Molecular weight: 408.6287
• Formula: C₁₂H₂₃N·C₈D₆H₉NO₄S
• Color/Form: Off-White
• InChI: 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: InChIKey=IAJLPGZWRSPJLM-ADTUXPRVSA-N
• SMILES: C1CCC(NC2CCCCC2)CC1.[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])SC[C@H](NC(C)=O)C(=O)O