Acetaminophen mercapturate

Base Information

Chemical Name:Acetaminophen mercapturate
CAS No.:52372-86-8
Molecular Formula:C₁₃H₁₆N₂O₅S
Molecular Weight:312.346
Hs Code.:
UNII:R86SEU3G6U
DSSTox Substance ID:DTXSID30966766
Nikkaji Number:J354.296C
Wikidata:Q27287959
Metabolomics Workbench ID:78521
Mol file:52372-86-8.mol

Synonyms:acetaminophen mercapturate;acetaminophen mercapturate monopotassium salt;paracetamol mercapturate

Suppliers and Price of Acetaminophen mercapturate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-(N-Acetyl-L-cystein-S-yl)Acetaminophen
2.5mg
$ 410.00

TRC
3-(N-Acetyl-L-cystein-S-yl)Acetaminophen
5mg
$ 755.00

Labseeker
3-(N-ACETYL-L-CYSTEIN-S-YL)ACETAMINOPHEN,SODIUMSALT 95
10mg
$ 3266.00

American Custom Chemicals Corporation
3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT 95.00%
1MG
$ 630.00

American Custom Chemicals Corporation
3-(N-ACETYL-L-CYSTEIN-S-YL) ACETAMINOPHEN, SODIUM SALT 95.00%
10MG
$ 1732.50

AHH
3-(N-Acetyl-L-cystein-S-yl)acetaminophensodiumsalt 98%
0.0
$ 810.00

Total 20 raw suppliers

Chemical Property of Acetaminophen mercapturate

Chemical Property:

Vapor Pressure:2.73E-18mmHg at 25°C
Melting Point:160-163oC
Refractive Index:1.625
Boiling Point:659.5 °C at 760 mmHg
PKA:3.27±0.10(Predicted)
Flash Point:352.6 °C
PSA：143.86000
Density:1.41 g/cm³
LogP:0.16120
Storage Temp.:Hygroscopic, -20°C Freezer, Under Inert Atmosphere
XLogP3:0.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:312.07799279
Heavy Atom Count:21
Complexity:404

Purity/Quality:

99% ^*data from raw suppliers

3-(N-Acetyl-L-cystein-S-yl)Acetaminophen ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)NC1=CC(=C(C=C1)O)SCC(C(=O)O)NC(=O)C
Isomeric SMILES:CC(=O)NC1=CC(=C(C=C1)O)SC[C@@H](C(=O)O)NC(=O)C
Uses APAP-CYS is a metabolite of acetaminophen (A161220) implicated in nephrotoxicity. Paracetamol Mercapturate is a metabolite of Acetaminophen (A161220) (1,2). Acetaminophen is a widely used analgesic and antipyretic drug. It can also be used in biological study of urinary antihypertensive drug metabolite screening using molecular networking coupled to high-resolution mass spectrometry fragmentation.

Technology Process of Acetaminophen mercapturate

There total 2 articles about Acetaminophen mercapturate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: