MedKoo Cat#: 461591 | Name: Metacetamol
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Metacetamol is an isomer of paracetamol and it similarly exhibits polymorphism.

Chemical Structure

Metacetamol
CAS#621-42-1

Theoretical Analysis

MedKoo Cat#: 461591

Name: Metacetamol

CAS#: 621-42-1

Chemical Formula: C8H9NO2

Exact Mass: 151.0633

Molecular Weight: 151.17

Elemental Analysis: C, 63.56; H, 6.00; N, 9.27; O, 21.17

Price and Availability

Size Price Availability Quantity
25g USD 250.00 2 weeks
100g USD 450.00 2 weeks
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Related CAS #
No Data
Synonym
Metacetamol; 3-Hydroxyacetanilide; Metalid; Pedituss; Pyrapap; Rystal; 3-Acetamidophenol
IUPAC/Chemical Name
N-(3-hydroxyphenyl)acetamide
InChi Key
QLNWXBAGRTUKKI-UHFFFAOYSA-N
InChi Code
InChI=1S/C8H9NO2/c1-6(10)9-7-3-2-4-8(11)5-7/h2-5,11H,1H3,(H,9,10)
SMILES Code
CC(NC1=CC=CC(O)=C1)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info
Product Data
Biological target:
Metacetamol is an isomer of paracetamol and it similarly exhibits polymorphism.
In vitro activity:
TBD
In vivo activity:
TBD
Solvent mg/mL mM comments
Solubility
Ethanol 5.0 33.08
DMF 30.0 198.46
DMSO 30.0 198.46
DMSO:PBS (pH 7.2) (1:4) 0.2 1.32
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 151.17 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Hart A, Orr DL. The degradation of paracetamol (4-hydroxyacetanilide) and other substituted acetanilides by a Penicillium species. Antonie Van Leeuwenhoek. 1975;41(3):239-47. PubMed PMID: 1082294. 2: Barrio M, Huguet J, Rietveld IB, Robert B, Céolin R, Tamarit JL. The Pressure-Temperature Phase Diagram of Metacetamol and Its Comparison to the Phase Diagram of Paracetamol. J Pharm Sci. 2017 Jun;106(6):1538-1544. doi: 10.1016/j.xphs.2017.02.003. Epub 2017 Feb 10. PubMed PMID: 28192078.