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N-Acetyl-S-(2-hydroxypropyl)cysteine-[d3] Dicyclohexylammonium Salt

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General Information
Catalog: BLP-006346
CAS: 1356934-59-2
Molecular Formula: C20H35D3N2O4S
Molecular Weight: 405.61

Chemical Structure

Synonyms	N-Acetyl-S-(2-hydroxypropyl)cysteine-d3 Dicyclohexylammonium Salt; N-(Acetyl-d3)-3-[(2-hydroxypropyl)thio]alanine Dicyclohexylammonium Salt; N-(Acetyl-d3)-S-(2-hydroxypropyl)-L-cysteine Dicyclohexylammonium Salt; S-(2-Hydroxypropyl)mercapturic Acid-d3 N-Cyclohexylcyclohexanamine Salt; HPMA-d3 Dicyclohexylammonium Salt
IUPAC Name	N-cyclohexylcyclohexanamine;(2R)-3-(2-hydroxypropylsulfanyl)-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid
Related CAS	38130-86-8 (unlabelled) 923-43-3 (unlabelled free base)
Canonical SMILES	CC(CSCC(C(=O)O)NC(=O)C)O.C1CCC(CC1)NC2CCCCC2
InChI	InChI=1S/C12H23N.C8H15NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(10)3-14-4-7(8(12)13)9-6(2)11/h11-13H,1-10H2;5,7,10H,3-4H2,1-2H3,(H,9,11)(H,12,13)/t;5?,7-/m.0/s1/i;2D3
InChI Key	QMBCHTMPMCAKAX-QVMWVPAKSA-N
Melting Point	161-165°C
Purity	>95%; >95% atom D
Solubility	Slightly soluble in DMSO, Methanol, Water
Appearance	White to Off-white Solid
Storage	Store at -20°C under inert atmosphere