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N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine-[d3] Dicyclohexylammonium Salt

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General Information
Catalog: BLP-006135
CAS: 1240483-48-0
Molecular Formula: C21H37D3N2O4S
Molecular Weight: 419.64

Chemical Structure

Synonyms	N-Acetyl-d3-S-(3-hydroxypropyl-1-methyl)-L-cysteine Dicyclohexylammonium Salt; 3-Hydroxy-1-methylpropylmercapturic-N-acetyl-d3 Acid Dicyclohexylammonium Salt; (R)-Methyl 2-acetamido-3-((3-hydroxypropyl)thio)propanoate-d3 Dicyclohexylammonium Salt
IUPAC Name	N-cyclohexylcyclohexanamine;(2R)-3-(4-hydroxybutan-2-ylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Related CAS	33164-70-4 (unlabelled) 100496-03-5 (unlabelled free base)
Canonical SMILES	CC(CCO)SCC(C(=O)O)NC(=O)C.C1CCC(CC1)NC2CCCCC2
InChI	InChI=1S/C12H23N.C9H17NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-6(3-4-11)15-5-8(9(13)14)10-7(2)12/h11-13H,1-10H2;6,8,11H,3-5H2,1-2H3,(H,10,12)(H,13,14)/t;6?,8-/m.0/s1/i;2D3
InChI Key	FUBHBRRJHGBLML-LEIIFSRUSA-N
Melting Point	171-178°C
Purity	≥98%; ≥98% atom D
Solubility	Soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C