Introduction：Basic information about CAS 53446-10-9|3-cysteinylacetaminophen, trifluoroacetic acid salt, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-cysteinylacetaminophen, trifluoroacetic acid salt |
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| CAS Number | 53446-10-9 | Molecular Weight | 270.30 |
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| Density | 1.44g/cm3 | Boiling Point | 541.1ºC at 760mmHg |
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| Molecular Formula | C11H14N2O4S | Melting Point | 190-193ºC dec. |
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| MSDS | / | Flash Point | 281ºC |
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Names
| Name | (2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-aminopropanoic acid |
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| Synonym | More Synonyms |
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BiologicalActivity
| Description | Paracetamol-cysteine is a Paracetamol-cysteine Paracetamol protein adduct (PPA) and is formed when paracetamol is oxidized to the reactive metabolite N-acetyl-p-benzoquinoneimine (NAPQI)[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| References | [1]. Kennon Heard, et al. Paracetamol (acetaminophen) protein adduct concentrations during therapeutic dosing. Br J Clin Pharmacol. 2016 Mar;81(3):562-8. |
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Chemical & Physical Properties
| Density | 1.44g/cm3 |
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| Boiling Point | 541.1ºC at 760mmHg |
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| Melting Point | 190-193ºC dec. |
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| Molecular Formula | C11H14N2O4S |
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| Molecular Weight | 270.30 |
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| Flash Point | 281ºC |
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| Exact Mass | 384.06000 |
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| PSA | 175.25000 |
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| LogP | 2.26120 |
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| Index of Refraction | 1.654 |
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| InChIKey | LLHICPSCVFRWDT-QMMMGPOBSA-N |
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| SMILES | CC(=O)Nc1ccc(O)c(SCC(N)C(=O)O)c1 |
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| Storage condition | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
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| Stability | Hygroscopic |
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Synonyms
| UNII-6Q2X58Y8BP |
| 3-Cysteinylacetaminophen Trifluoroacetic Acid Salt |
| 3-(Cystein-S-yl)paracetamol |
| 3-(Cystein-S-yl)acetaminophen |
| L-Cysteine,S-[5-(acetylamino)-2-hydroxyphenyl] |
