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Ritalinic acid (Ritalinic acid; Ritalinate)

Cat No.:V72276 Purity: ≥98%
Ritalinic acid (Ritalinate) is the major inactive urinary metabolite of Methylphenidate.
Ritalinic acid (Ritalinic acid; Ritalinate)
Ritalinic acid (Ritalinic acid; Ritalinate) Chemical Structure CAS No.: 19395-41-6
Product category: Drug Metabolite
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
250mg
Other Sizes
Official Supplier of:
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Product Description
Ritalinic acid (Ritalinate) is the major inactive urinary metabolite of Methylphenidate. Methylphenidate may be utilized in ADHD and narcolepsy research.
Ritalinic acid (Ritalinate) is the primary inactive urinary metabolite of methylphenidate, the active ingredient in medications like Ritalin used to treat ADHD and narcolepsy. It is formed by hydrolysis of the methyl ester group in methylphenidate and is used as an important biomarker in drug metabolism and pharmacokinetics studies.
Biological Activity I Assay Protocols (From Reference)
Targets
Ritalinic acid is a metabolite of the psychostimulant drugs methylphenidate, dexmethylphenidate, and ethylphenidate. The primary targets of these parent drugs are the dopamine and norepinephrine transporters in the brain. Ritalinic acid itself is pharmacologically inactive and serves as a biomarker for methylphenidate exposure and metabolism.
ln Vitro
Ritalinic acid is pharmacologically inactive and does not exhibit significant biological activity. It is studied for its role in the metabolism of psychostimulant drugs. In vitro, it is used as a reference standard for quantifying methylphenidate and its metabolites in biological samples.
ln Vivo
In vivo, Ritalinic acid is the major inactive urinary metabolite of methylphenidate. It is excreted in urine and serves as a biomarker for monitoring therapeutic drug levels and investigating metabolic pathways of central nervous system stimulants. Its presence in urine indicates methylphenidate exposure and metabolism.
Enzyme Assay
In vitro assays for Ritalinic acid typically involve its use as a reference standard in LC-MS/MS or GC-MS methods for quantifying methylphenidate and its metabolites in biological samples. The compound is spiked into plasma or urine samples to create calibration curves. Its chemical stability and chromatographic properties are characterized under various analytical conditions.
Cell Assay
For in vitro cell assays, Ritalinic acid is not typically used as a treatment. Instead, it is measured in cell culture supernatants or lysates as a metabolite of methylphenidate. Cells (e.g., hepatocytes or brain-derived cells) are treated with methylphenidate, and Ritalinic acid production is quantified by LC-MS/MS to study drug metabolism and enzyme activity.
Animal Protocol
For in vivo animal studies, Ritalinic acid is typically measured in urine and plasma samples from rodents or other animals administered methylphenidate. The compound is quantified by LC-MS/MS to assess the pharmacokinetics and metabolism of methylphenidate. Its urinary excretion profile is used to study the metabolic pathways and elimination of psychostimulant drugs.
ADME/Pharmacokinetics
Ritalinic acid (MW 219.28) has the molecular formula C13H17NO2. It is a white crystalline solid that is pharmacologically inactive. The compound is stable under recommended storage conditions (typically -20°C). As the primary metabolite of methylphenidate, it is excreted in urine and serves as a biomarker for drug exposure.
Toxicity/Toxicokinetics
Ritalinic acid is for research use only. As an inactive metabolite of the approved drug methylphenidate, it is not expected to exhibit significant toxicity at physiological concentrations. However, it is used in toxicological studies to monitor drug exposure and metabolism. Standard laboratory safety precautions should be followed.
References
[1]. Ricardo Jorge Dinis-Oliveira, et al. Metabolomics of Methylphenidate and Ethylphenidate: Implications in Pharmacological and Toxicological Effects. Eur J Drug Metab Pharmacokinet. 2017 Feb;42(1):11-16.
Additional Infomation
Ritalinic acid is a monocarboxylic acid, formed by the substitution of phenylacetic acid at the 2-position with a piperidine-2-yl group. It is a metabolite of the drug methylphenidate. It is both a metabolite of marine xenobiotics and a drug metabolite. It is a monocarboxylic acid belonging to the piperidine class of compounds.
Ritalinic acid (CAS# 19395-41-6) is the primary inactive urinary metabolite of methylphenidate, a drug used for ADHD and narcolepsy. It has not been approved as a therapeutic agent. The compound is widely used in forensic toxicology, pharmacokinetics research, and as a reference standard for monitoring therapeutic drug levels. It is a monocarboxylic acid substituted by a piperidin-2-yl group at position 2.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C13H17NO2
Molecular Weight
219.28
Exact Mass
219.125
CAS #
19395-41-6
PubChem CID
86863
Appearance
White to off-white solid powder
Density
1.1±0.1 g/cm3
Boiling Point
367.7±17.0 °C at 760 mmHg
Melting Point
236-238ºC
Flash Point
176.2±20.9 °C
Vapour Pressure
0.0±0.9 mmHg at 25°C
Index of Refraction
1.554
LogP
2.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Heavy Atom Count
16
Complexity
236
Defined Atom Stereocenter Count
0
SMILES
O([H])C(C([H])(C1C([H])=C([H])C([H])=C([H])C=1[H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N1[H])=O
InChi Key
INGSNVSERUZOAK-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)
Chemical Name
2-phenyl-2-piperidin-2-ylacetic acid
HS Tariff Code
2934.99.9001
Storage

Powder      -20°C    3 years

                     4°C     2 years

In solvent   -80°C    6 months

                  -20°C    1 month

Shipping Condition
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
Solubility (In Vivo)
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.

Injection Formulations
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution.
Injection Formulation 2: DMSO : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO 400 μLPEG300 50 μL Tween 80 450 μL Saline)
Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO 900 μL Corn oil)
Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals).
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Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO 900 μL (20% SBE-β-CD in saline)]
*Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL Saline)


Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium)
Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose
Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 4.5604 mL 22.8019 mL 45.6038 mL
5 mM 0.9121 mL 4.5604 mL 9.1208 mL
10 mM 0.4560 mL 2.2802 mL 4.5604 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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Calculation results

Working concentration mg/mL;

Method for preparing DMSO stock solution mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.

Method for preparing in vivo formulation:Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.

(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
             (2) Be sure to add the solvent(s) in order.

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