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S-Phenyl-mercapturic Acid-[d5]

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General Information
Catalog: BLP-004265
CAS: 1331906-27-4
Molecular Formula: C11H8D5NO3S
Molecular Weight: 244.32

Chemical Structure

Description	S-Phenyl-mercapturic Acid-[d5] is a labelled analog of S-Phenyl-mercapturic Acid.
Synonyms	N-Acetyl-S-phenyl-d5-L-cysteine
IUPAC Name	(2R)-2-acetamido-3-(2,3,4,5,6-pentadeuteriophenyl)sulfanylpropanoic acid
Canonical SMILES	CC(=O)NC(CSC1=CC=CC=C1)C(=O)O
InChI	InChI=1S/C11H13NO3S/c1-8(13)12-10(11(14)15)7-16-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1/i2D,3D,4D,5D,6D
InChI Key	CICOZWHZVMOPJS-ZYMAPILLSA-N
Melting Point	132-137°C
Solubility	Soluble in Chloroform, Ethanol, Methanol
Appearance	Off-white to Brown Solid
Storage	Hygroscopic,-20°C, Under inert atmosphere