Basic information
- CAS
37519-14-5- Standard SMILES
CC(=O)Nc1ccc(O)c(O)c1- InChIKey
IPFBMHOMTSBTSU-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Overview
microsomal metabolite of acetaminophen
Names & identifiers
- Preferred name
- 3-Hydroxyacetaminophen
- IUPAC
- N-(3,4-dihydroxyphenyl)acetamide
- English name
- 3-Hydroxyacetaminophen
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
3-Hydroxyacetaminophen37519-14-5Acetamide, N-(3,4-dihydroxyphenyl)-IX22A3NJLNDTXSID50190960RefChem:94248DTXCID90113451112-529-5N-(3,4-Dihydroxyphenyl)acetamideAcetaminophen metabolite 3-hydroxy-acetaminophenMFCD008711454-Acetylaminopyrocatechol
Show more names
N-(3,4-DIHDYROXYPHENYL)ACETAMIDEParacetamol Impurity 94-AcetylaminoresorcinolAcetaminophen Impurity 25N-(2,4-Dihydroxyphenyl)acetamide
UNII-IX22A3NJLNIPFBMHOMTSBTSU-UHFFFAOYSA-N3-hydroxy-paracetamolorb1706274SCHEMBL3192352HY-G0004N-(3,4-dihydroxyphenyl)acetamide;N-(3,4-Dihydroxyphenyl)acetamide #
Database identifiers
- CAS
37519-14-5- PubChem CID
- 161950
- DTXSID
DTXSID50190960- UNII
- IX22A3NJLN
- EC Number
- 112-529-5
- Nikkaji
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Melting point
- 170 · 170-172°C
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Dark Brown
- FDA UNII
- 22 A3NJLN · IX22A3NJLN
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites3-Hydroxyacetaminophen is a known human metabolite of acetaminophen.
Applications
Uses3-Hydroxyacetaminophen is a metabolite of Acetaminophen (A161220), an analgesic and antipyretic agent used as a pain reliever to treat headache, muscle aches, and arthritis (1,2,3).
Suppliers53 total
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
InvivoChem中国13549236410 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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