Basic information
- CAS
64014-06-8- Standard SMILES
CC(=O)Nc1ccc(SC[C@H](N)C(=O)O)cc1- InChIKey
ZOZXXYPCOKGXOE-JTQLQIEISA-N- Molecular formula
- C11H14N2O3S
- Average molar mass
- 254.31 g/mol
- Monoisotopic mass
- 254.07251349
Overview
Acetaminophen cystein is a S-conjugate.
Names & identifiers
- Preferred name
- Acetaminophen-cysteine
- IUPAC
- (2R)-3-(4-acetamidophenyl)sulfanyl-2-aminopropanoic acid
- English name
- acetaminophen cysteine
- Molecular formula
- C11H14N2O3S
- Molecular weight
- 254.31
Names & synonyms
Acetaminophen cysteine64014-06-8acetaminophen-cysteineAA-CysteineL-Cysteine, S-(4-(acetylamino)phenyl)-DTXSID60214000L-Cysteine, S-[4-(acetylamino)phenyl]-RefChem:914959DTXCID20136491Acetaminophen cystein(2R)-3-(4-acetamidophenyl)sulfanyl-2-aminopropanoic acidMFCD08435945
Show more names
Paracetamol Impurity 63
S-[4-(Acetylamino)phenyl]-L-cysteine;S-(4-(Acetylamino)phenyl)-L-cysteineSCHEMBL31065560CHEBI:177963S-(4-Acetamidophenyl)-L-cysteineAKOS028112517FA165558PS-12008
Database identifiers
- CAS
64014-06-8- PubChem CID
- 83997
- DTXSID
DTXSID60214000- ChEBI
CHEBI:177963
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Melting point
- 184 °C · >184°C (dec.)
- storage temp.
- Refrigerator
- solubility
- Aqueous Acidic (Slightly)
- form
- Solid
- color
- Off-White
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysAcetaminophen Metabolism Pathway
Applications
UsesAcetaminophen-cysteine is a metabolite of Acetaminophen (A161220) which is an analgesic and antipyretic drug. It is a pain reliever commonly used to treat headache, muscle aches, arthritis, and other acute or chronic painful conditions.
Suppliers10 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
BOC Sciences16314854226 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
扬州长华生物科技有限公司15189846850 13815846020
江苏洪珉药业有限公司18221292452 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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