3-Chloro-2-Hydroxypropylmercapturic Acid
[CAS# 97729-49-2]

Identification

• Name: 3-Chloro-2-Hydroxypropylmercapturic Acid
• Synonyms: (2R)-2-Acetamido-3-(3-Chloro-2-Hydroxy-Propyl)Sulfanyl-Propanoic Acid; (2R)-2-Acetamido-3-[(3-Chloro-2-Hydroxypropyl)Thio]Propanoic Acid; (2R)-2-Acetamido-3-[(3-Chloro-2-Hydroxy-Propyl)Thio]Propionic Acid
• Molecular Formula: C₈H₁₄ClNO₄S
• Molecular Weight: 255.72
• CAS Registry Number: 97729-49-2
• SMILES: [C@H](CSCC(CCl)O)(C(O)=O)NC(=O)C
• InChI: 1S/C8H14ClNO4S/c1-5(11)10-7(8(13)14)4-15-3-6(12)2-9/h6-7,12H,2-4H2,1H3,(H,10,11)(H,13,14)/t6?,7-/m0/s1
• InChIKey: AVEOXQDYMIQASN-MLWJPKLSSA-N