N-Acetyl-S-(2-hydroxyethyl-d4)-L-cysteine Dicyclohexylamine Salt

CAS: 1331894-57-5

Ref. TR-A178912

Product Information

• Name: N-Acetyl-S-(2-hydroxyethyl-d4)-L-cysteine Dicyclohexylamine Salt
• Synonyms: (2R)-2-Acetamido-3-(1,1,2,2-tetradeuterio-2-hydroxyethyl)sulfanylpropanoic acid N-cyclohexylcyclohexanamine, N-Acetyl-3-[(2-hydroxyethyl-1,1,2,2-d4)thio]-L-alanine dicyclohexylammonium salt, N-Acetyl-S-(2-hydroxyethyl-1,1,2,2-d4)-L-cysteine dicyclohexylammonium salt, N-Acetyl-S-(2-hydroxyethyl)-L-cysteine-D4 (2-hydroxyethyl-1,1,2,2-D4) dicyclohexylammonium salt, N-Acetyl-S-(2-hydroxyethyl)cysteine-d4 dicyclohexylammonium salt, S-(2-Hydroxyethyl-d4)-N-acetylcysteine dicyclohexylammonium salt, S-(ß-Hydroxyethyl)mercapturic-d4 acid dicyclohexylammonium salt, (2R)-2-Acetamido-3-(2-hydroxyethyl-1,1,2,2-d4)sulfanylpropanoic acid dicyclohexylamine

Description

Applications An isotopically labelled metabolite of halopropanes; also the metabolite of 2 glycosylnitrosoureas (RFCNU and RPCNU).
References Madelmont, J.C., et al.: Drug Metab. Dispos., 10, 662 (1982), Barr, D.B., et al.: J. Anal. Toxicol., 22, 96 (1998),

• Brand: TRC

Chemical properties

• Molecular weight: 392.59
• Formula: C₁₂H₂₃N·C₇H₄H₉NO₄S
• Color/Form: Off-White
• InChI: InChI=1S/C12H23N.C7H13NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(10)8-6(7(11)12)4-13-3-2-9/h11-13H,1-10H2;6,9H,2-4H2,1H3,(H,8,10)(H,11,12)/t;6-/m.0/s1/i;2D2,3D2
• InChI key: InChIKey=XLGHARKAPCCVFZ-XAEDZKCESA-N
• SMILES: C1CCC(NC2CCCCC2)CC1.[2H]C([2H])(O)C([2H])([2H])SC[C@H](NC(C)=O)C(=O)O