Glutathione-S-Acetaminophen Conjugate
[CAS# 64889-81-2]

Identification

• Name: Glutathione-S-Acetaminophen Conjugate
• Synonyms: (2S)-5-[[(1R)-1-[(5-Acetamido-2-Hydroxy-Phenyl)Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-2-Amino-5-Oxo-Pentanoic Acid; (2S)-5-[[(1R)-1-[[(5-Acetamido-2-Hydroxyphenyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-2-Amino-5-Oxopentanoic Acid; (2S)-5-[[(1R)-1-[[(5-Acetamido-2-Hydroxy-Phenyl)Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-2-Amino-5-Keto-Valeric Acid
• Molecular Formula: C₁₈H₂₄N₄O₈S
• Molecular Weight: 456.47
• CAS Registry Number: 64889-81-2
• SMILES: [C@H](NC(=O)CC[C@H](N)C(=O)O)(CSC1=CC(=CC=C1O)NC(=O)C)C(=O)NCC(=O)O
• InChI: 1S/C18H24N4O8S/c1-9(23)21-10-2-4-13(24)14(6-10)31-8-12(17(28)20-7-16(26)27)22-15(25)5-3-11(19)18(29)30/h2,4,6,11-12,24H,3,5,7-8,19H2,1H3,(H,20,28)(H,21,23)(H,22,25)(H,26,27)(H,29,30)/t11-,12-/m0/s1
• InChIKey: VFNAXGMNFCUWCI-RYUDHWBXSA-N

Properties

• Density: 1.503g/cm³ (Cal.)
• Boiling point: 928.117°C at 760 mmHg (Cal.)
• Flash point: 515.107°C (Cal.)