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DL-Benzylmercapturic Acid-[d5]

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General Information
Catalog: BLP-005209
Molecular Formula: C12H10D5NO3S
Molecular Weight: 258.35

Chemical Structure

Synonyms	DL-S-Benzyl-d5-mercapturic Acid (phenyl-d5); N-Acetyl-S-Benzyl-DL-Cysteine-D5
IUPAC Name	2-acetamido-3-[(2,3,4,5,6-pentadeuteriophenyl)methylsulfanyl]propanoic acid
Related CAS	19538-71-7 (unlabelled)
Canonical SMILES	CC(=O)NC(CSCC1=CC=CC=C1)C(=O)O
InChI	InChI=1S/C12H15NO3S/c1-9(14)13-11(12(15)16)8-17-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/i2D,3D,4D,5D,6D
InChI Key	BJUXDERNWYKSIQ-VIQYUKPQSA-N
Purity	>98%
Solubility	Soluble in DMSO, Ethanol, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C