| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
CAS# 1217645-16-3. Tolterodine (the parent compound) is a potent muscarinic receptor antagonist with selectivity for the urinary bladder over salivary glands. It targets M2 and M3 muscarinic receptors on bladder smooth muscle, inhibiting bladder contraction and relieving urgency and frequency symptoms. Tolterodine-d14 has the same pharmacological activity as unlabeled tolterodine but is used as an analytical standard.
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| ln Vitro |
Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].
Not applicable. Tolterodine-d14 itself is not used for measuring pharmacological activity. It is employed as an internal standard for quantitative LC‑MS/MS analysis. The parent compound tolterodine has an IC₅0 of approximately 1-10 nM for muscarinic receptors in bladder tissue. It blocks carbachol‑induced contractions of isolated bladder strips with high potency. |
| Enzyme Assay |
For analytical method development, Tolterodine-d14 hydrochloride is used as an internal standard. A stock solution is prepared in methanol or acetonitrile at 1 mg/mL. Calibration standards are prepared by spiking blank biological matrix (e.g., plasma, urine) with known concentrations of unlabeled tolterodine hydrochloride (0.1-1000 ng/mL) and a fixed concentration of Tolterodine-d14 hydrochloride (50-100 ng/mL). Proteins are precipitated with 3‑5 volumes of acetonitrile containing the internal standard. After centrifugation, the supernatant is evaporated under nitrogen and reconstituted in mobile phase (0.1% formic acid in water/methanol). Analysis is performed by LC‑MS/MS in MRM mode, monitoring transitions m/z 326.2 → 262.2 for tolterodine and m/z 340.3 → 270.3 for Tolterodine-d14 (shift due to D14 label). The peak area ratio (analyte/IS) is plotted against the nominal concentration to generate a calibration curve.
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| Cell Assay |
Not applicable. Tolterodine-d14 hydrochloride is not used in standard cellular activity assays because it is a stable isotope internal standard. However, in research settings, cells expressing muscarinic receptors (e.g., CHO cells transfected with M2 or M3 receptors) could be treated with tolterodine (not the labeled form) to assess receptor antagonism. Tolterodine blocks carbachol‑induced calcium mobilization (for M3) or cAMP inhibition (for M2) with IC₅0 values in the low nanomolar range. The labeled compound is not used in these functional assays.
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| Animal Protocol |
Tolterodine-d14 hydrochloride is used in ADME and bioequivalence studies. Animals (e.g., male Sprague‑Dawley rats, 200-300 g) or human subjects are administered an oral dose of tolterodine (1-4 mg for humans; 0.5-2 mg/kg for rats). Blood is collected at predetermined time points (0, 0.25, 0.5, 1, 1.5, 2, 3, 4, 6, 8, 12, 24 h), and plasma is separated. Urine and feces may also be collected. The concentration of tolterodine and its active metabolite (5‑hydroxymethyl tolterodine) in biological samples is measured by LC‑MS/MS using Tolterodine-d14 and/or its deuterated metabolite as internal standards. Pharmacokinetic parameters (Cmax, Tmax, AUC, t½, clearance, Vd, oral bioavailability) are calculated by non‑compartmental analysis. In metabolic studies, Tolterodine-d14 can be administered as a tracer to track the metabolism of tolterodine, or it can be used as an internal standard to quantify unlabeled tolterodine after its administration. The deuterium label does not alter the metabolism or PK significantly.
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| ADME/Pharmacokinetics |
Tolterodine-d14 hydrochloride (MW 376.03, C22H18D14ClNO) is a stable isotope‑labeled compound with 99 atom% deuterium enrichment at the 14 exchangeable positions (the isopropyl groups and others). It has the same chemical and physical properties as unlabeled tolterodine hydrochloride. Tolterodine is a lipophilic weak base (pKa ~9.8) with high protein binding (>90%). It is well absorbed orally (bioavailability ~70% in humans due to extensive first‑pass metabolism). The active metabolite (5‑hydroxymethyl tolterodine) is formed by CYP2D6. The plasma half‑life of tolterodine in extensive metabolizers is 2-3 h, and in poor metabolizers it is 10-12 h. The labeled compound is not metabolically altered by the deuterium label; its pharmacokinetics are the same as unlabeled tolterodine.
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| Toxicity/Toxicokinetics |
Tolterodine-d14 hydrochloride is chemically stable and non‑toxic at the concentrations used as an internal standard (ng/mL levels). Unlabeled tolterodine hydrochloride is an approved drug with a well‑characterized safety profile; common adverse effects include dry mouth, constipation, and dizziness. The labeled analog has the same toxicity profile as the parent drug at therapeutic doses. No additional toxicity data are required for the labeled compound, as it is used in minute amounts as an analytical standard.
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| References |
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| Additional Infomation |
Tolterodine-d14 hydrochloride (CAS 1217645-16-3) is a stable isotope‑labeled analog of tolterodine, a clinically approved drug for overactive bladder (OAB). It is used as an internal standard for LC‑MS/MS quantification of tolterodine and its active metabolite in pharmacokinetic and bioequivalence studies. The parent drug is a competitive muscarinic receptor antagonist selective for M2 and M3 subtypes. The labeled compound has no therapeutic use and is for research and analytical purposes only.
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| Molecular Formula |
C22H32CLNO
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|---|---|
| Molecular Weight |
361.948585510254
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| Exact Mass |
375.305
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| CAS # |
1217645-16-3
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| Related CAS # |
Tolterodine;124937-51-5
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| PubChem CID |
45040547
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| Appearance |
White to off-white solid powder
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
25
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| Complexity |
340
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| Defined Atom Stereocenter Count |
1
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| SMILES |
[C@@H](C1C=CC=CC=1)(C1C=C(C)C=CC=1O)CCN(C([H])(C([H])([H])[H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H].Cl
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| InChi Key |
FSUOGWPKKKHHHM-PDPBTKPOSA-N
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| InChi Code |
InChI=1S/C22H31NO.ClH/c1-16(2)23(17(3)4)14-13-20(19-9-7-6-8-10-19)21-15-18(5)11-12-22(21)24;/h6-12,15-17,20,24H,13-14H2,1-5H3;1H/t20-;/m1./s1/i1D3,2D3,3D3,4D3,16D,17D;
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| Chemical Name |
2-[(1R)-3-[bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)amino]-1-phenylpropyl]-4-methylphenol;hydrochloride
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| 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
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| 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
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *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 : PEG300 ：Tween 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). View More
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)] 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). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7628 mL | 13.8141 mL | 27.6281 mL | |
| 5 mM | 0.5526 mL | 2.7628 mL | 5.5256 mL | |
| 10 mM | 0.2763 mL | 1.3814 mL | 2.7628 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.
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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